4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C16H16FN7O — CID 163291167

IUPAC4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cccc(F)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
InChIInChI=1S/C16H16FN7O/c1-9-4-3-5-12(17)13(9)22-15-11(14(18)25)7-19-16(23-15)21-10-6-20-24(2)8-10/h3-8H,1-2H3,(H2,18,25)(H2,19,21,22,23)
InChIKeyFXTPMBKUURJDKQ-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.24
Rot. Bonds5

About 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 163291167) has the molecular formula C16H16FN7O and a molecular weight of 341.35 g/mol. Its IUPAC name is 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID163291167
Molecular FormulaC16H16FN7O
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cccc(F)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
InChIInChI=1S/C16H16FN7O/c1-9-4-3-5-12(17)13(9)22-15-11(14(18)25)7-19-16(23-15)21-10-6-20-24(2)8-10/h3-8H,1-2H3,(H2,18,25)(H2,19,21,22,23)
InChIKeyFXTPMBKUURJDKQ-UHFFFAOYSA-N
XLogP2.24
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Prt-060318
CID 11493841
P505-15
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CID 975267
Imanixil
CID 216289
Syk Inhibitor II
CID 9549296
CU-CPT-8m
CID 15042086
N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
CID 90216982
Tyk2-IN-2
CID 129626433
1-(4-((1H-pyrazol-1-yl)methyl)benzyl)-N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1H-imidazole-4-carboxamide
CID 56836188
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-methylamino]methyl]phenyl]prop-2-enamide
CID 118475617
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475621
N-[4-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475626

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 163291167) is 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is Cc1cccc(F)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O.
What is the InChIKey of 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is FXTPMBKUURJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7O/c1-9-4-3-5-12(17)13(9)22-15-11(14(18)25)7-19-16(23-15)21-10-6-20-24(2)8-10/h3-8H,1-2H3,(H2,18,25)(H2,19,21,22,23).
What are the key properties of 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 163291167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).