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

C16H17ClN6O — CID 146554185

IUPAC2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3cccn3)c2Cl)n1
InChIInChI=1S/C16H17ClN6O/c1-10-9-13(18-2)22-16(20-10)21-11-5-6-12(24-3)15(14(11)17)23-8-4-7-19-23/h4-9H,1-3H3,(H2,18,20,21,22)
InChIKeyNQEOIZZKGPSPMM-UHFFFAOYSA-N
MW344.81 g/mol
LogP3.42
Rot. Bonds5

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

2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 146554185) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID146554185
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3cccn3)c2Cl)n1
InChIInChI=1S/C16H17ClN6O/c1-10-9-13(18-2)22-16(20-10)21-11-5-6-12(24-3)15(14(11)17)23-8-4-7-19-23/h4-9H,1-3H3,(H2,18,20,21,22)
InChIKeyNQEOIZZKGPSPMM-UHFFFAOYSA-N
XLogP3.42
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 151454764
2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 153405928
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
2-N-[2-fluoro-4-methoxy-3-(5,6,7,8-tetrahydro-4H-pyrazolo[4,3-c]azepin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 155175835
2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
2-N-[2,4-dichloro-3-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 155175792
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929597
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
2-N-(4-chloro-2-methylphenyl)-4-N-(3,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930056
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930365
4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930022
4-N-benzyl-2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915556

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 146554185) is 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(-n3cccn3)c2Cl)n1.
What is the InChIKey of 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is NQEOIZZKGPSPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-10-9-13(18-2)22-16(20-10)21-11-5-6-12(24-3)15(14(11)17)23-8-4-7-19-23/h4-9H,1-3H3,(H2,18,20,21,22).
What are the key properties of 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 344.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 146554185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).