5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine

C23H24ClN7 — CID 58257121

IUPAC5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc(C4CCNCC4)c4ccccc34)ncc2Cl)n[nH]1
InChIInChI=1S/C23H24ClN7/c1-14-12-21(31-30-14)28-22-19(24)13-26-23(29-22)27-20-7-6-16(15-8-10-25-11-9-15)17-4-2-3-5-18(17)20/h2-7,12-13,15,25H,8-11H2,1H3,(H3,26,27,28,29,30,31)
InChIKeyBHFAQJZFPNNGDZ-UHFFFAOYSA-N
MW433.95 g/mol
LogP5.27
Rot. Bonds5

About 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine (PubChem CID 58257121) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine
PubChem CID58257121
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC Name5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc(C4CCNCC4)c4ccccc34)ncc2Cl)n[nH]1
InChIInChI=1S/C23H24ClN7/c1-14-12-21(31-30-14)28-22-19(24)13-26-23(29-22)27-20-7-6-16(15-8-10-25-11-9-15)17-4-2-3-5-18(17)20/h2-7,12-13,15,25H,8-11H2,1H3,(H3,26,27,28,29,30,31)
InChIKeyBHFAQJZFPNNGDZ-UHFFFAOYSA-N
XLogP5.27
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.95
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]naphthalen-1-yl]piperidin-1-yl]-N-methylacetamide
CID 67169603
5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 67167332
4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]cyclohexan-1-ol
CID 44621649
5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58254950
5-chloro-2-N-[2,5-dimethyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 90867539
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255001
5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 143921492
ethyl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidine-1-carboxylate
CID 44612615
1-[4-[2,5-dichloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 58255128
5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255081
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255060
5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 176671649

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine (CID 58257121) is 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3ccc(C4CCNCC4)c4ccccc34)ncc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine?
The InChIKey is BHFAQJZFPNNGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-14-12-21(31-30-14)28-22-19(24)13-26-23(29-22)27-20-7-6-16(15-8-10-25-11-9-15)17-4-2-3-5-18(17)20/h2-7,12-13,15,25H,8-11H2,1H3,(H3,26,27,28,29,30,31).
What are the key properties of 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine has a molecular weight of 433.95 g/mol, XLogP of 5.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 58257121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).