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

C17H15ClN8 — CID 67167332

IUPAC5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc2c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cccc2nn1
InChIInChI=1S/C17H15ClN8/c1-9-6-11-13(4-3-5-14(11)25-23-9)20-17-19-8-12(18)16(22-17)21-15-7-10(2)24-26-15/h3-8H,1-2H3,(H3,19,20,21,22,24,26)
InChIKeyAJQCFGFXUKVZBZ-UHFFFAOYSA-N
MW366.82 g/mol
LogP3.90
Rot. Bonds4

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

5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 67167332) has the molecular formula C17H15ClN8 and a molecular weight of 366.82 g/mol. Its IUPAC name is 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID67167332
Molecular FormulaC17H15ClN8
Molecular Weight366.82 g/mol
Exact Mass366.11
IUPAC Name5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc2c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cccc2nn1
InChIInChI=1S/C17H15ClN8/c1-9-6-11-13(4-3-5-14(11)25-23-9)20-17-19-8-12(18)16(22-17)21-15-7-10(2)24-26-15/h3-8H,1-2H3,(H3,19,20,21,22,24,26)
InChIKeyAJQCFGFXUKVZBZ-UHFFFAOYSA-N
XLogP3.90
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 90867539
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5-chloro-2-N-[2,5-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
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5-chloro-2-N-[2-fluoro-5-methyl-4-[4-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 89203216
4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylbenzamide
CID 25264976

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 67167332) is 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc2c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cccc2nn1.
What is the InChIKey of 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is AJQCFGFXUKVZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN8/c1-9-6-11-13(4-3-5-14(11)25-23-9)20-17-19-8-12(18)16(22-17)21-15-7-10(2)24-26-15/h3-8H,1-2H3,(H3,19,20,21,22,24,26).
What are the key properties of 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 366.82 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(3-methylcinnolin-5-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67167332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).