4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C18H20FN7O — CID 164607710

IUPAC4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cccc(F)c1Nc1nc(Nc2c(C)nn(C)c2C)ncc1C(N)=O
InChIInChI=1S/C18H20FN7O/c1-9-6-5-7-13(19)14(9)22-17-12(16(20)27)8-21-18(24-17)23-15-10(2)25-26(4)11(15)3/h5-8H,1-4H3,(H2,20,27)(H2,21,22,23,24)
InChIKeyYLKZXAURIRFNAU-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.86
Rot. Bonds5

About 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 164607710) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID164607710
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cccc(F)c1Nc1nc(Nc2c(C)nn(C)c2C)ncc1C(N)=O
InChIInChI=1S/C18H20FN7O/c1-9-6-5-7-13(19)14(9)22-17-12(16(20)27)8-21-18(24-17)23-15-10(2)25-26(4)11(15)3/h5-8H,1-4H3,(H2,20,27)(H2,21,22,23,24)
InChIKeyYLKZXAURIRFNAU-UHFFFAOYSA-N
XLogP2.86
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 165112360
2-[(1-tert-butylpyrazol-4-yl)amino]-4-(2-chloro-6-fluoroanilino)pyrimidine-5-carboxamide
CID 165112363
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
4-[2-fluoro-6-[(1R)-1-methoxyethyl]anilino]-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 175716317
2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide
CID 86633987
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxamide
CID 171626474
4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide
CID 178120166
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
ethane;ethyl 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxylate
CID 171818458
2-(2,3-difluoro-4-methylanilino)-4-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)amino]pyrimidine-5-carboxamide
CID 163291202
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 164607710) is 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is Cc1cccc(F)c1Nc1nc(Nc2c(C)nn(C)c2C)ncc1C(N)=O.
What is the InChIKey of 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is YLKZXAURIRFNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-9-6-5-7-13(19)14(9)22-17-12(16(20)27)8-21-18(24-17)23-15-10(2)25-26(4)11(15)3/h5-8H,1-4H3,(H2,20,27)(H2,21,22,23,24).
What are the key properties of 4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(2-fluoro-6-methylanilino)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.86, 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-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 164607710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).