4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C15H25N3O — CID 136883390

IUPAC4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-11(2)15-17-13(10-14(19)18-15)16-9-5-8-12-6-3-4-7-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyNRBFKRKHSIEWEZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds6

About 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136883390) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136883390
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-11(2)15-17-13(10-14(19)18-15)16-9-5-8-12-6-3-4-7-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyNRBFKRKHSIEWEZ-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-octan-2-yl-1H-pyrimidin-6-one
CID 155019745
2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 65400865
2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
CID 65407142
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-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136883390) is 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCCC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NRBFKRKHSIEWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)15-17-13(10-14(19)18-15)16-9-5-8-12-6-3-4-7-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136883390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).