4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid

C19H18FN5O2 — CID 143303719

IUPAC4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(-c2ncc(N(C)C)c(Nc3ccncc3C(=O)O)n2)c1
InChIInChI=1S/C19H18FN5O2/c1-11-4-5-14(20)12(8-11)17-22-10-16(25(2)3)18(24-17)23-15-6-7-21-9-13(15)19(26)27/h4-10H,1-3H3,(H,26,27)(H,21,22,23,24)
InChIKeyFYWBQKZMJFPPPO-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.49
Rot. Bonds5

About 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid

4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 143303719) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID143303719
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(-c2ncc(N(C)C)c(Nc3ccncc3C(=O)O)n2)c1
InChIInChI=1S/C19H18FN5O2/c1-11-4-5-14(20)12(8-11)17-22-10-16(25(2)3)18(24-17)23-15-6-7-21-9-13(15)19(26)27/h4-10H,1-3H3,(H,26,27)(H,21,22,23,24)
InChIKeyFYWBQKZMJFPPPO-UHFFFAOYSA-N
XLogP3.49
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethane
CID 142874305
2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane
CID 162211691
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 58770378
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one
CID 153392132
4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 142874263
4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxyprop-2-enyl)pyridine-3-carboxamide;ethane
CID 144881477
4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 58770445
2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
N-(3-amino-3-oxopropyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxamide
CID 11950433

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 143303719) is 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is Cc1ccc(F)c(-c2ncc(N(C)C)c(Nc3ccncc3C(=O)O)n2)c1.
What is the InChIKey of 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is FYWBQKZMJFPPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-11-4-5-14(20)12(8-11)17-22-10-16(25(2)3)18(24-17)23-15-6-7-21-9-13(15)19(26)27/h4-10H,1-3H3,(H,26,27)(H,21,22,23,24).
What are the key properties of 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 367.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 143303719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).