2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine

C15H15ClN6 — CID 153405928

IUPAC2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(Cl)c(-n3cccn3)c2)n1
InChIInChI=1S/C15H15ClN6/c1-10-8-14(17-2)21-15(19-10)20-11-4-5-12(16)13(9-11)22-7-3-6-18-22/h3-9H,1-2H3,(H2,17,19,20,21)
InChIKeyTZHRQISGYXXXHA-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.41
Rot. Bonds4

About 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 153405928) has the molecular formula C15H15ClN6 and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID153405928
Molecular FormulaC15H15ClN6
Molecular Weight314.78 g/mol
Exact Mass314.10
IUPAC Name2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(Cl)c(-n3cccn3)c2)n1
InChIInChI=1S/C15H15ClN6/c1-10-8-14(17-2)21-15(19-10)20-11-4-5-12(16)13(9-11)22-7-3-6-18-22/h3-9H,1-2H3,(H2,17,19,20,21)
InChIKeyTZHRQISGYXXXHA-UHFFFAOYSA-N
XLogP3.41
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146554185
2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide
CID 157301562
2-chloro-N-[2-(methylamino)ethyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide
CID 146397871
1-[2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-4-pyrrolidin-1-ylbutan-1-one
CID 158680843
2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 146338599
2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 151454764
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
4-N-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 146339167
N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80926388

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 153405928) is 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(Cl)c(-n3cccn3)c2)n1.
What is the InChIKey of 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is TZHRQISGYXXXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6/c1-10-8-14(17-2)21-15(19-10)20-11-4-5-12(16)13(9-11)22-7-3-6-18-22/h3-9H,1-2H3,(H2,17,19,20,21).
What are the key properties of 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 314.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 153405928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).