2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid

C12H13N5O2 — CID 114195022

IUPAC2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1nccc(CNc2cnc(N)cc2C(=O)O)n1
InChIInChI=1S/C12H13N5O2/c1-7-14-3-2-8(17-7)5-15-10-6-16-11(13)4-9(10)12(18)19/h2-4,6,15H,5H2,1H3,(H2,13,16)(H,18,19)
InChIKeyBTGSNJKTMNWFCN-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid

2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114195022) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID114195022
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1nccc(CNc2cnc(N)cc2C(=O)O)n1
InChIInChI=1S/C12H13N5O2/c1-7-14-3-2-8(17-7)5-15-10-6-16-11(13)4-9(10)12(18)19/h2-4,6,15H,5H2,1H3,(H2,13,16)(H,18,19)
InChIKeyBTGSNJKTMNWFCN-UHFFFAOYSA-N
XLogP1.07
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzenecarbothioamide
CID 62302615
ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62749628
methyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62747332
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
2,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 82821483
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
methyl 3-methyl-4-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62748228
2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114195553
5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359219
5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 115423761

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid (CID 114195022) is 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid is Cc1nccc(CNc2cnc(N)cc2C(=O)O)n1.
What is the InChIKey of 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is BTGSNJKTMNWFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-14-3-2-8(17-7)5-15-10-6-16-11(13)4-9(10)12(18)19/h2-4,6,15H,5H2,1H3,(H2,13,16)(H,18,19).
What are the key properties of 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid?
2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114195022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).