[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C15H22N4O — CID 109341196

IUPAC[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(NC2CCCC2)ncn1)N1CCCCC1
InChIInChI=1S/C15H22N4O/c20-15(19-8-4-1-5-9-19)13-10-14(17-11-16-13)18-12-6-2-3-7-12/h10-12H,1-9H2,(H,16,17,18)
InChIKeyKPUAKOYHBIXBTJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.46
Rot. Bonds3

About [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341196) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341196
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(NC2CCCC2)ncn1)N1CCCCC1
InChIInChI=1S/C15H22N4O/c20-15(19-8-4-1-5-9-19)13-10-14(17-11-16-13)18-12-6-2-3-7-12/h10-12H,1-9H2,(H,16,17,18)
InChIKeyKPUAKOYHBIXBTJ-UHFFFAOYSA-N
XLogP2.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341660
[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109353967
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
(3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone
CID 170207736
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341627
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 167761700
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341792
[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109339086
6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 83707447
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109338654

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341196) is [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(NC2CCCC2)ncn1)N1CCCCC1.
What is the InChIKey of [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is KPUAKOYHBIXBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(19-8-4-1-5-9-19)13-10-14(17-11-16-13)18-12-6-2-3-7-12/h10-12H,1-9H2,(H,16,17,18).
What are the key properties of [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 274.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).