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

C16H17FN6O — CID 151454764

IUPAC2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3cccn3)c2F)n1
InChIInChI=1S/C16H17FN6O/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)
InChIKeyPHFJNWPEJSZFJO-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.90
Rot. Bonds5

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

2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 151454764) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID151454764
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3cccn3)c2F)n1
InChIInChI=1S/C16H17FN6O/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)
InChIKeyPHFJNWPEJSZFJO-UHFFFAOYSA-N
XLogP2.90
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-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
tert-butyl N-[[1-[2-fluoro-6-methoxy-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]triazol-4-yl]methyl]-N-methylcarbamate
CID 154632214
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 153405928
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390
2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930602
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930365
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930545
2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154251

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 151454764) is 2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(-n3cccn3)c2F)n1.
What is the InChIKey of 2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is PHFJNWPEJSZFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/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-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 328.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoro-4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 151454764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).