4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one

C12H19N3O — CID 136956180

IUPAC4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-9-14-11(8-12(16)15-9)13-7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyVRDWZWVOVFRTNZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds4

About 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one

4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956180) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956180
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-9-14-11(8-12(16)15-9)13-7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyVRDWZWVOVFRTNZ-UHFFFAOYSA-N
XLogP2.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-ethylcyclopentyl)-1H-pyrimidin-6-one
CID 65407142
3-[2-[2-(Ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one
CID 79573462
2,6-Dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one
CID 79573712
2-(2-methylcyclopentyl)-1H-pyrimidin-6-one
CID 133671978
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
2-methyl-4-(octadecylamino)-1H-pyrimidin-6-one
CID 135818520
2-cyclopentyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978194
2-cyclopentyl-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095276
2-cyclopentyl-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136095571

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956180) is 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VRDWZWVOVFRTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-14-11(8-12(16)15-9)13-7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).