2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide

C12H19N5O — CID 80806902

IUPAC2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
SMILESCNc1cc(N(CC(N)=O)C2CCCC2)ncn1
InChIInChI=1S/C12H19N5O/c1-14-11-6-12(16-8-15-11)17(7-10(13)18)9-4-2-3-5-9/h6,8-9H,2-5,7H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyKAWDLIAJKVWEHZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.75
Rot. Bonds5

About 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide

2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80806902) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80806902
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
SMILESCNc1cc(N(CC(N)=O)C2CCCC2)ncn1
InChIInChI=1S/C12H19N5O/c1-14-11-6-12(16-8-15-11)17(7-10(13)18)9-4-2-3-5-9/h6,8-9H,2-5,7H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyKAWDLIAJKVWEHZ-UHFFFAOYSA-N
XLogP0.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805676
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
2-[cyclopentyl-[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80942549
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80799416
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
CID 80632655
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-cyclopentylamino]acetamide
CID 80629884
2-[cyclopentyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80786697
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide (CID 80806902) is 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide is CNc1cc(N(CC(N)=O)C2CCCC2)ncn1.
What is the InChIKey of 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is KAWDLIAJKVWEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-14-11-6-12(16-8-15-11)17(7-10(13)18)9-4-2-3-5-9/h6,8-9H,2-5,7H2,1H3,(H2,13,18)(H,14,15,16).
What are the key properties of 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide?
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80806902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).