6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid

C17H12N6O2 — CID 169398391

IUPAC6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(-c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C17H12N6O2/c18-8-11-14(22-17(20)23-15(11)19)10-6-4-9(5-7-10)12-2-1-3-13(21-12)16(24)25/h1-7H,(H,24,25)(H4,19,20,22,23)
InChIKeyVZDWQIIGEXSNTE-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.94
Rot. Bonds3

About 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid

6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid (PubChem CID 169398391) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid
PubChem CID169398391
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(-c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C17H12N6O2/c18-8-11-14(22-17(20)23-15(11)19)10-6-4-9(5-7-10)12-2-1-3-13(21-12)16(24)25/h1-7H,(H,24,25)(H4,19,20,22,23)
InChIKeyVZDWQIIGEXSNTE-UHFFFAOYSA-N
XLogP1.94
TPSA151.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl] acetate
CID 169396141
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl] cyclopropanecarboxylate
CID 169397778
3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 169398285
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
2-(2,6-diamino-5-cyanopyrimidin-4-yl)-5-iodobenzoic acid
CID 169396965
methyl 3-[3-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]benzoate
CID 169398246
2,4-diamino-6-[4-(2-cyano-3-pyridinyl)phenyl]pyrimidine-5-carbonitrile
CID 169397299
2-[N-(2-acetyloxyethyl)-4-(2,6-diamino-5-cyanopyrimidin-4-yl)anilino]ethyl acetate
CID 169398358
2,4-diamino-6-(3-bromo-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396130
2,4-diamino-6-(3-methoxy-4-phenacyloxyphenyl)pyrimidine-5-carbonitrile
CID 169397653
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396261
2,4-diamino-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]pyrimidine-5-carbonitrile
CID 169396454

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid (CID 169398391) is 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid is N#Cc1c(N)nc(N)nc1-c1ccc(-c2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is VZDWQIIGEXSNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c18-8-11-14(22-17(20)23-15(11)19)10-6-4-9(5-7-10)12-2-1-3-13(21-12)16(24)25/h1-7H,(H,24,25)(H4,19,20,22,23).
What are the key properties of 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid?
6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 169398391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).