6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid

C12H13N5O2 — CID 107553849

IUPAC6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
SMILESCc1cnc(CNc2nc(C)cc(C(=O)O)n2)cn1
InChIInChI=1S/C12H13N5O2/c1-7-3-10(11(18)19)17-12(16-7)15-6-9-5-13-8(2)4-14-9/h3-5H,6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyIIXKDZURPCEPBK-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.19
Rot. Bonds4

About 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid

6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 107553849) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID107553849
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
SMILESCc1cnc(CNc2nc(C)cc(C(=O)O)n2)cn1
InChIInChI=1S/C12H13N5O2/c1-7-3-10(11(18)19)17-12(16-7)15-6-9-5-13-8(2)4-14-9/h3-5H,6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyIIXKDZURPCEPBK-UHFFFAOYSA-N
XLogP1.19
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
CID 107554495
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553402
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554108
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80919004
4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80570031
2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554285
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
(5-methylpyrazin-2-yl)methylurea
CID 62845946
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 114117674
4-bromo-2-[(5-methylpyrazin-2-yl)methylamino]benzoic acid
CID 114907355

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid (CID 107553849) is 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid is Cc1cnc(CNc2nc(C)cc(C(=O)O)n2)cn1.
What is the InChIKey of 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is IIXKDZURPCEPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-3-10(11(18)19)17-12(16-7)15-6-9-5-13-8(2)4-14-9/h3-5H,6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid?
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).