5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide

C12H14N6O — CID 114406194

IUPAC5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
SMILESCc1nccc(CNc2nc(C(N)=O)ccc2N)n1
InChIInChI=1S/C12H14N6O/c1-7-15-5-4-8(17-7)6-16-12-9(13)2-3-10(18-12)11(14)19/h2-5H,6,13H2,1H3,(H2,14,19)(H,16,18)
InChIKeyYOVINFLNKNHJLU-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.47
Rot. Bonds4

About 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide

5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide (PubChem CID 114406194) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
PubChem CID114406194
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
SMILESCc1nccc(CNc2nc(C(N)=O)ccc2N)n1
InChIInChI=1S/C12H14N6O/c1-7-15-5-4-8(17-7)6-16-12-9(13)2-3-10(18-12)11(14)19/h2-5H,6,13H2,1H3,(H2,14,19)(H,16,18)
InChIKeyYOVINFLNKNHJLU-UHFFFAOYSA-N
XLogP0.47
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
CID 81133270
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 114406596
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849
5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 114405316
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80813252
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
3,4-difluoro-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 62533698
4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine
CID 80813250
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide (CID 114406194) is 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide is Cc1nccc(CNc2nc(C(N)=O)ccc2N)n1.
What is the InChIKey of 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is YOVINFLNKNHJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7-15-5-4-8(17-7)6-16-12-9(13)2-3-10(18-12)11(14)19/h2-5H,6,13H2,1H3,(H2,14,19)(H,16,18).
What are the key properties of 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide?
5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 114406194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).