5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C68H77Cl2F3N22O — CID 87293913

IUPAC5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)on1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4cc(C)[nH]n4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(N5CCCCC5)CC4)cc3C)ncc2C(F)(F)F)n[nH]1
InChIInChI=1S/C28H36F3N7.C20H21ClN8.C20H20ClN7O/c1-17-14-24(18(2)13-22(17)20-7-9-21(10-8-20)38-11-5-4-6-12-38)33-27-32-16-23(28(29,30)31)26(35-27)34-25-15-19(3)36-37-25;1-10-6-16(11(2)5-14(10)17-7-12(3)26-28-17)23-20-22-9-15(21)19(25-20)24-18-8-13(4)27-29-18;1-10-6-16(11(2)5-14(10)17-7-13(4)28-29-17)23-20-22-9-15(21)19(25-20)24-18-8-12(3)26-27-18/h13-16,20-21H,4-12H2,1-3H3,(H3,32,33,34,35,36,37);5-9H,1-4H3,(H,26,28)(H3,22,23,24,25,27,29);5-9H,1-4H3,(H3,22,23,24,25,26,27)
InChIKeyVDFXSSJDXCWHBC-UHFFFAOYSA-N
MW1346.42 g/mol
LogP17.34
Rot. Bonds16

About 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 87293913) has the molecular formula C68H77Cl2F3N22O and a molecular weight of 1346.42 g/mol. Its IUPAC name is 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID87293913
Molecular FormulaC68H77Cl2F3N22O
Molecular Weight1346.42 g/mol
Exact Mass1344.60
IUPAC Name5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)on1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4cc(C)[nH]n4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(N5CCCCC5)CC4)cc3C)ncc2C(F)(F)F)n[nH]1
InChIInChI=1S/C28H36F3N7.C20H21ClN8.C20H20ClN7O/c1-17-14-24(18(2)13-22(17)20-7-9-21(10-8-20)38-11-5-4-6-12-38)33-27-32-16-23(28(29,30)31)26(35-27)34-25-15-19(3)36-37-25;1-10-6-16(11(2)5-14(10)17-7-12(3)26-28-17)23-20-22-9-15(21)19(25-20)24-18-8-13(4)27-29-18;1-10-6-16(11(2)5-14(10)17-7-13(4)28-29-17)23-20-22-9-15(21)19(25-20)24-18-8-12(3)26-27-18/h13-16,20-21H,4-12H2,1-3H3,(H3,32,33,34,35,36,37);5-9H,1-4H3,(H,26,28)(H3,22,23,24,25,27,29);5-9H,1-4H3,(H3,22,23,24,25,26,27)
InChIKeyVDFXSSJDXCWHBC-UHFFFAOYSA-N
XLogP17.34
TPSA293.51 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001346.42
LogP ≤ 517.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 158241442
5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 161709296
5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44621372
5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]acetamide;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 161305008
7-(1-methylindazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methylcyclopenta-1,4-dien-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-benzoxazol-3-amine
CID 164121932

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 87293913) is 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1cc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)on1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4cc(C)[nH]n4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(N5CCCCC5)CC4)cc3C)ncc2C(F)(F)F)n[nH]1.
What is the InChIKey of 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VDFXSSJDXCWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F3N7.C20H21ClN8.C20H20ClN7O/c1-17-14-24(18(2)13-22(17)20-7-9-21(10-8-20)38-11-5-4-6-12-38)33-27-32-16-23(28(29,30)31)26(35-27)34-25-15-19(3)36-37-25;1-10-6-16(11(2)5-14(10)17-7-12(3)26-28-17)23-20-22-9-15(21)19(25-20)24-18-8-13(4)27-29-18;1-10-6-16(11(2)5-14(10)17-7-13(4)28-29-17)23-20-22-9-15(21)19(25-20)24-18-8-12(3)26-27-18/h13-16,20-21H,4-12H2,1-3H3,(H3,32,33,34,35,36,37);5-9H,1-4H3,(H,26,28)(H3,22,23,24,25,27,29);5-9H,1-4H3,(H3,22,23,24,25,26,27).
What are the key properties of 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 1346.42 g/mol, XLogP of 17.34, 16 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2,5-dimethyl-4-(4-piperidin-1-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 87293913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).