5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid

C13H11N5O2 — CID 107543116

IUPAC5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(C#N)nc(NCc2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C13H11N5O2/c1-8-4-10(5-14)18-13(17-8)16-7-9-2-3-11(12(19)20)15-6-9/h2-4,6H,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyWLPOHDPDLTTWBP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.36
Rot. Bonds4

About 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid

5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 107543116) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID107543116
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(C#N)nc(NCc2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C13H11N5O2/c1-8-4-10(5-14)18-13(17-8)16-7-9-2-3-11(12(19)20)15-6-9/h2-4,6H,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyWLPOHDPDLTTWBP-UHFFFAOYSA-N
XLogP1.36
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]benzoic acid
CID 107542874
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099512
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile
CID 122150193
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214
5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 105362161
1-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107543146
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277189
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108557
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
3-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 100670807
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid (CID 107543116) is 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid is Cc1cc(C#N)nc(NCc2ccc(C(=O)O)nc2)n1.
What is the InChIKey of 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is WLPOHDPDLTTWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-4-10(5-14)18-13(17-8)16-7-9-2-3-11(12(19)20)15-6-9/h2-4,6H,7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107543116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).