4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C15H25N3O — CID 136723580

IUPAC4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1(CNc2cc(=O)[nH]c(C(C)C)n2)CCCC1
InChIInChI=1S/C15H25N3O/c1-4-15(7-5-6-8-15)10-16-12-9-13(19)18-14(17-12)11(2)3/h9,11H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyFHPREPWIWIFKJZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds5

About 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136723580) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136723580
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1(CNc2cc(=O)[nH]c(C(C)C)n2)CCCC1
InChIInChI=1S/C15H25N3O/c1-4-15(7-5-6-8-15)10-16-12-9-13(19)18-14(17-12)11(2)3/h9,11H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyFHPREPWIWIFKJZ-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

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
2-(1-methylcyclopentyl)-1H-pyrimidin-6-one
CID 134126492
4-amino-2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
CID 136252090
4-amino-2-[1-(aminomethyl)cyclopentyl]-1H-pyrimidin-6-one
CID 136301476
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
4-(dimethylamino)-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136345065
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672018
4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136672019
4-[(2-amino-1-cyclopentylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672023
4-(5-aminopentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136689850

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136723580) is 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CCC1(CNc2cc(=O)[nH]c(C(C)C)n2)CCCC1.
What is the InChIKey of 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FHPREPWIWIFKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-15(7-5-6-8-15)10-16-12-9-13(19)18-14(17-12)11(2)3/h9,11H,4-8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136723580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).