6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid

C12H19N3O2 — CID 107553644

IUPAC6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
SMILESCCC(CC)N(C)c1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C12H19N3O2/c1-5-9(6-2)15(4)12-13-8(3)7-10(14-12)11(16)17/h7,9H,5-6H2,1-4H3,(H,16,17)
InChIKeyGOPHWHNFYIIKGY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.11
Rot. Bonds5

About 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid

6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid (PubChem CID 107553644) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
PubChem CID107553644
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
SMILESCCC(CC)N(C)c1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C12H19N3O2/c1-5-9(6-2)15(4)12-13-8(3)7-10(14-12)11(16)17/h7,9H,5-6H2,1-4H3,(H,16,17)
InChIKeyGOPHWHNFYIIKGY-UHFFFAOYSA-N
XLogP2.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553650
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553609
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid
CID 107553809
2-[(4-bromothiophen-2-yl)methyl-methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553737
2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid
CID 107553719
6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
CID 58418036
2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid
CID 113491416
6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid
CID 107553927
2-[(2-bromophenyl)methyl-methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553781
2-(2-bromo-N-methylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 115123702
2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid
CID 116731360
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid (CID 107553644) is 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid is CCC(CC)N(C)c1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is GOPHWHNFYIIKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-9(6-2)15(4)12-13-8(3)7-10(14-12)11(16)17/h7,9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid?
6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).