2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid

C14H22N4O2 — CID 83181981

IUPAC2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCCN(C)C2CCCC2)ncc1C(=O)O
InChIInChI=1S/C14H22N4O2/c1-10-12(13(19)20)9-16-14(17-10)15-7-8-18(2)11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyJVHNOTNPNHXFQJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.77
Rot. Bonds6

About 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid

2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181981) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181981
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCCN(C)C2CCCC2)ncc1C(=O)O
InChIInChI=1S/C14H22N4O2/c1-10-12(13(19)20)9-16-14(17-10)15-7-8-18(2)11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyJVHNOTNPNHXFQJ-UHFFFAOYSA-N
XLogP1.77
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181383
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181617
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
CID 83181984
2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83184782
4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 114148420
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
CID 90747007
2-[2-[(3R,4S)-4-hydroxyoxolan-3-yl]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167757701
4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid
CID 79834906

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid (CID 83181981) is 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NCCN(C)C2CCCC2)ncc1C(=O)O.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is JVHNOTNPNHXFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-12(13(19)20)9-16-14(17-10)15-7-8-18(2)11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,19,20)(H,15,16,17).
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).