2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid

C10H15N3O2 — CID 82283844

IUPAC2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
SMILESCCCCN(C)c1ncc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O2/c1-3-4-5-13(2)10-11-6-8(7-12-10)9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyJCXHHFGDRKPZOF-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.41
Rot. Bonds5

About 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid

2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 82283844) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
PubChem CID82283844
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
SMILESCCCCN(C)c1ncc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O2/c1-3-4-5-13(2)10-11-6-8(7-12-10)9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyJCXHHFGDRKPZOF-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248509
4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254354
N-butyl-5-iodo-N-methylpyrimidin-2-amine
CID 115620517
2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109264005
2-(diethylamino)pyrimidine-5-carboxylic acid
CID 42281393
2-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109264058
2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109264034
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109263983

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid (CID 82283844) is 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid is CCCCN(C)c1ncc(C(=O)O)cn1.
What is the InChIKey of 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is JCXHHFGDRKPZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-5-13(2)10-11-6-8(7-12-10)9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid?
2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82283844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).