6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid

C18H14F2N4O2 — CID 90328465

IUPAC6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid
SMILESCc1cncc(-c2nc(NCc3ccc(F)cc3F)cc(C(=O)O)n2)c1
InChIInChI=1S/C18H14F2N4O2/c1-10-4-12(8-21-7-10)17-23-15(18(25)26)6-16(24-17)22-9-11-2-3-13(19)5-14(11)20/h2-8H,9H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyLMUAKQXTIXLHIV-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.44
Rot. Bonds5

About 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid

6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid (PubChem CID 90328465) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid
PubChem CID90328465
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid
SMILESCc1cncc(-c2nc(NCc3ccc(F)cc3F)cc(C(=O)O)n2)c1
InChIInChI=1S/C18H14F2N4O2/c1-10-4-12(8-21-7-10)17-23-15(18(25)26)6-16(24-17)22-9-11-2-3-13(19)5-14(11)20/h2-8H,9H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyLMUAKQXTIXLHIV-UHFFFAOYSA-N
XLogP3.44
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Pyridin-3-yl)pyrimidine-4-carboxylic acid
CID 57569654
4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid
CID 10402880
3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 1383261
4-[2-(4-Pyridinylamino)-4-pyrimidinyl]benzoic acid
CID 44453853
4-[2-[(2-Amino-4-pyridinyl)amino]-4-pyrimidinyl]benzoic acid
CID 44453858
4-[2-[[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]amino]pyrimidin-4-yl]benzoic acid
CID 44453953
3-[[4-(3-Pyridinyl)-2-pyrimidinyl]amino]benzoic acid
CID 10039959
2-(Pyridin-2-yl)pyrimidine-4-carboxylic acid
CID 62749366
5-(Trifluoromethyl)-2-(7-(3-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-ylamino)pyrimidine-4-carboxylic acid
CID 49863802
4-(5-Allyl-6-methyl-2-(pyridin-2-yl)pyrimidin-4-ylamino)benzoic acid
CID 54586990
2-(4-Fluorophenyl)-4-(4-pyridyl)-5-pyrimidinecarboxylic acid
CID 90488048
2-[(2-Fluorophenyl)methyl]-5-[5-fluoro-4-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino]pyrimidin-2-yl]pyrazole-3-carboxylic acid
CID 118233429

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid (CID 90328465) is 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid is Cc1cncc(-c2nc(NCc3ccc(F)cc3F)cc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid?
The InChIKey is LMUAKQXTIXLHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-10-4-12(8-21-7-10)17-23-15(18(25)26)6-16(24-17)22-9-11-2-3-13(19)5-14(11)20/h2-8H,9H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid?
6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid has a molecular weight of 356.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methylamino]-2-(5-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 90328465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).