6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C86H83F9N22O4S — CID 159589515

IUPAC6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N)n1.CCc1cc(-c2ccc(OC)cc2)nc(N)n1.CCc1cc(-c2ccccc2OC)nc(N)n1.CCc1cc(-c2cncc3ccccc23)nc(N)n1.CNc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(N)n1.CNc1cc(-c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)nc(N)n1
InChIInChI=1S/C19H17N5O2S.C15H14N4.C13H10F6N4.C13H12F3N3.2C13H15N3O/c1-21-18-12-16(22-19(20)23-18)13-7-8-17-14(11-13)9-10-24(17)27(25,26)15-5-3-2-4-6-15;1-2-11-7-14(19-15(16)18-11)13-9-17-8-10-5-3-4-6-12(10)13;1-21-10-5-9(22-11(20)23-10)6-2-7(12(14,15)16)4-8(3-6)13(17,18)19;1-2-10-7-11(19-12(17)18-10)8-3-5-9(6-4-8)13(14,15)16;1-3-10-8-12(16-13(14)15-10)9-4-6-11(17-2)7-5-9;1-3-9-8-11(16-13(14)15-9)10-6-4-5-7-12(10)17-2/h2-12H,1H3,(H3,20,21,22,23);3-9H,2H2,1H3,(H2,16,18,19);2-5H,1H3,(H3,20,21,22,23);3-7H,2H2,1H3,(H2,17,18,19);2*4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyMKBBKHLCJKHLLT-UHFFFAOYSA-N
MW1691.81 g/mol
LogP17.50
Rot. Bonds16

About 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 159589515) has the molecular formula C86H83F9N22O4S and a molecular weight of 1691.81 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID159589515
Molecular FormulaC86H83F9N22O4S
Molecular Weight1691.81 g/mol
Exact Mass1690.65
IUPAC Name6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N)n1.CCc1cc(-c2ccc(OC)cc2)nc(N)n1.CCc1cc(-c2ccccc2OC)nc(N)n1.CCc1cc(-c2cncc3ccccc23)nc(N)n1.CNc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(N)n1.CNc1cc(-c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)nc(N)n1
InChIInChI=1S/C19H17N5O2S.C15H14N4.C13H10F6N4.C13H12F3N3.2C13H15N3O/c1-21-18-12-16(22-19(20)23-18)13-7-8-17-14(11-13)9-10-24(17)27(25,26)15-5-3-2-4-6-15;1-2-11-7-14(19-15(16)18-11)13-9-17-8-10-5-3-4-6-12(10)13;1-21-10-5-9(22-11(20)23-10)6-2-7(12(14,15)16)4-8(3-6)13(17,18)19;1-2-10-7-11(19-12(17)18-10)8-3-5-9(6-4-8)13(14,15)16;1-3-10-8-12(16-13(14)15-10)9-4-6-11(17-2)7-5-9;1-3-9-8-11(16-13(14)15-9)10-6-4-5-7-12(10)17-2/h2-12H,1H3,(H3,20,21,22,23);3-9H,2H2,1H3,(H2,16,18,19);2-5H,1H3,(H3,20,21,22,23);3-7H,2H2,1H3,(H2,17,18,19);2*4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyMKBBKHLCJKHLLT-UHFFFAOYSA-N
XLogP17.50
TPSA405.28 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001691.81
LogP ≤ 517.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-(3-methoxy-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-N-(pyrimidin-4-yl)quinazoline-7-sulfonamide
CID 86687774
US9776995, Example 147
CID 121333929
1-[4-(1H-indol-5-yl)-2-methoxyphenyl]-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 89614585
5-(5-fluoro-1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide
CID 89614278
N-[2,4-difluoro-3-[[6-(2-fluoro-3-pyridinyl)-7-methoxyquinazolin-4-yl]amino]phenyl]benzenesulfonamide
CID 118115632
(4S)-4-[2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 157385193
4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;6-tert-butyl-2-methylquinoline;2-tert-butyl-6-(oxan-4-ylmethyl)pyrazine;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 157807928
6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 158107403
4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;6-tert-butyl-2-methylquinoline;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]piperidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 158742715
4-[(3-tert-butyl-2-fluorophenyl)methyl]oxane;N-(3-tert-butyl-5-fluorophenyl)oxan-4-amine;4-[(3-tert-butyl-4-methoxyphenyl)methyl]oxane;6-tert-butyl-2-methylquinoline;2-tert-butyl-6-(oxan-4-ylmethyl)pyrazine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;2-tert-butyl-4-(oxan-4-ylmethyl)pyrimidine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 158893527
3,3-difluoro-N-[2-fluoro-5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]butane-1-sulfonamide;4-[2-[5-[[2,2-difluoropropyl(methyl)sulfamoyl]amino]-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxyethanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(3-methoxyphenyl)methanesulfonamide;N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;4-[2-[5-(3-methoxypropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 159165270
6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(3-fluoro-4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(2-methoxyphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(3-methylphenyl)ethyl]quinazolin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine);6-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
CID 159280770

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 159589515) is 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is CCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N)n1.CCc1cc(-c2ccc(OC)cc2)nc(N)n1.CCc1cc(-c2ccccc2OC)nc(N)n1.CCc1cc(-c2cncc3ccccc23)nc(N)n1.CNc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(N)n1.CNc1cc(-c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)nc(N)n1.
What is the InChIKey of 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is MKBBKHLCJKHLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S.C15H14N4.C13H10F6N4.C13H12F3N3.2C13H15N3O/c1-21-18-12-16(22-19(20)23-18)13-7-8-17-14(11-13)9-10-24(17)27(25,26)15-5-3-2-4-6-15;1-2-11-7-14(19-15(16)18-11)13-9-17-8-10-5-3-4-6-12(10)13;1-21-10-5-9(22-11(20)23-10)6-2-7(12(14,15)16)4-8(3-6)13(17,18)19;1-2-10-7-11(19-12(17)18-10)8-3-5-9(6-4-8)13(14,15)16;1-3-10-8-12(16-13(14)15-10)9-4-6-11(17-2)7-5-9;1-3-9-8-11(16-13(14)15-9)10-6-4-5-7-12(10)17-2/h2-12H,1H3,(H3,20,21,22,23);3-9H,2H2,1H3,(H2,16,18,19);2-5H,1H3,(H3,20,21,22,23);3-7H,2H2,1H3,(H2,17,18,19);2*4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 1691.81 g/mol, XLogP of 17.50, 16 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159589515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).