3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C96H118ClF12N25O3 — CID 160610677

IUPAC3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ccnc(NC(C)(C)C)n2)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H18ClF3N4.C16H19F3N4O.2C16H19F3N4.C16H21N5O.C16H22N4O/c1-9-8-21-14(24-15(2,3)4)23-13(9)22-10-5-6-12(17)11(7-10)16(18,19)20;1-10-9-20-14(23-15(2,3)4)22-13(10)21-11-6-5-7-12(8-11)24-16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-11(6-8-12)16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-6-11(8-12)16(17,18)19;1-10-9-18-15(21-16(2,3)4)20-14(10)19-12-7-5-6-11(8-12)13(17)22;1-11-12(7-6-8-13(11)21-5)18-14-9-10-17-15(19-14)20-16(2,3)4/h5-8H,1-4H3,(H2,21,22,23,24);5-9H,1-4H3,(H2,20,21,22,23);2*5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,17,22)(H2,18,19,20,21);6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyRFLXZHAZGZRBDG-UHFFFAOYSA-N
MW1933.60 g/mol
LogP26.15
Rot. Bonds21

About 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 160610677) has the molecular formula C96H118ClF12N25O3 and a molecular weight of 1933.60 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID160610677
Molecular FormulaC96H118ClF12N25O3
Molecular Weight1933.60 g/mol
Exact Mass1931.93
IUPAC Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ccnc(NC(C)(C)C)n2)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H18ClF3N4.C16H19F3N4O.2C16H19F3N4.C16H21N5O.C16H22N4O/c1-9-8-21-14(24-15(2,3)4)23-13(9)22-10-5-6-12(17)11(7-10)16(18,19)20;1-10-9-20-14(23-15(2,3)4)22-13(10)21-11-6-5-7-12(8-11)24-16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-11(6-8-12)16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-6-11(8-12)16(17,18)19;1-10-9-18-15(21-16(2,3)4)20-14(10)19-12-7-5-6-11(8-12)13(17)22;1-11-12(7-6-8-13(11)21-5)18-14-9-10-17-15(19-14)20-16(2,3)4/h5-8H,1-4H3,(H2,21,22,23,24);5-9H,1-4H3,(H2,20,21,22,23);2*5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,17,22)(H2,18,19,20,21);6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyRFLXZHAZGZRBDG-UHFFFAOYSA-N
XLogP26.15
TPSA360.59 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.60
LogP ≤ 526.15
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Analyze 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[1-[[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-(4-methylpiperazin-1-yl)-1-[[2-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methylbenzamide
CID 90985611
1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;N-[[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]prop-2-enamide;N-[2-chloro-5-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-3-en-2-one;N-[[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methyl]prop-2-enamide;5-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]pent-1-en-3-one;N-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 157090923
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;bis(2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide)
CID 157099959
4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]oxy]phenyl]urea;N-methoxy-4-[3-(phenylcarbamoylamino)phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenoxy]pyridine-2-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenoxy]pyrimidine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[3-(phenylcarbamoylamino)phenoxy]pyrimidine-4-carboxamide;N-methoxy-6-[4-(phenylcarbamoylamino)phenoxy]pyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenoxy]-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenoxy]-1,3,5-triazine-2-carboxamide
CID 157223132
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;bis(5-fluoro-2-[[2-(3-methoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);3-methoxyaniline
CID 157404851
N-[3-[[5-fluoro-2-(4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;N-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 157498382
3-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[(6-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide;4,6-dichloropyrido[3,4-d]pyrimidine
CID 157569530
N-[2-chloro-5-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;5-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]pent-1-en-3-one
CID 157733391
2-anilino-N-cyclopropyl-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;2-anilino-N-phenyl-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one
CID 158073150
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;bis(2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide)
CID 158195083
N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158295516
3-(2-chloro-6-methylphenyl)-7-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-propan-2-yl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-propan-2-yl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158876007

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 160610677) is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is COc1cccc(Nc2ccnc(NC(C)(C)C)n2)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is RFLXZHAZGZRBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4.C16H19F3N4O.2C16H19F3N4.C16H21N5O.C16H22N4O/c1-9-8-21-14(24-15(2,3)4)23-13(9)22-10-5-6-12(17)11(7-10)16(18,19)20;1-10-9-20-14(23-15(2,3)4)22-13(10)21-11-6-5-7-12(8-11)24-16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-11(6-8-12)16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-6-11(8-12)16(17,18)19;1-10-9-18-15(21-16(2,3)4)20-14(10)19-12-7-5-6-11(8-12)13(17)22;1-11-12(7-6-8-13(11)21-5)18-14-9-10-17-15(19-14)20-16(2,3)4/h5-8H,1-4H3,(H2,21,22,23,24);5-9H,1-4H3,(H2,20,21,22,23);2*5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,17,22)(H2,18,19,20,21);6-10H,1-5H3,(H2,17,18,19,20).
What are the key properties of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 1933.60 g/mol, XLogP of 26.15, 21 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160610677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).