4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O — CID 136973917

IUPAC4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-9(2)13-15-11(7-12(17)16-13)14-8-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyHYWVTFNWNYOUSS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.50
Rot. Bonds4

About 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973917) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973917
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-9(2)13-15-11(7-12(17)16-13)14-8-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyHYWVTFNWNYOUSS-UHFFFAOYSA-N
XLogP2.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopentylpyrimidin-4-ol
CID 45787582
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-amino-2-cyclopentyl-1H-pyrimidin-6-one
CID 136085103
2-(cyclopentylmethyl)-5-methanimidoyl-4-(prop-2-enylamino)-1H-pyrimidin-6-one;ethane;N-methylmethanimine
CID 142964108
2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 65400865
2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
CID 65407142
2-cyclopentyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84120060
2-(azepan-4-ylmethyl)-1H-pyrimidin-6-one
CID 84675429
2-(2-methylcyclopentyl)-1H-pyrimidin-6-one
CID 133671978
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
2-cyclopentyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978194
4-(aminomethyl)-2-cyclopentyl-1H-pyrimidin-6-one
CID 135978231

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973917) is 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HYWVTFNWNYOUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)13-15-11(7-12(17)16-13)14-8-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).