4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C11H17N3O — CID 136867385

IUPAC4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCC(CNc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H17N3O/c1-8-2-3-9(4-8)6-12-10-5-11(15)14-7-13-10/h5,7-9H,2-4,6H2,1H3,(H2,12,13,14,15)
InChIKeyVCMZEOZQTSHISJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.62
Rot. Bonds3

About 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136867385) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136867385
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCC(CNc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H17N3O/c1-8-2-3-9(4-8)6-12-10-5-11(15)14-7-13-10/h5,7-9H,2-4,6H2,1H3,(H2,12,13,14,15)
InChIKeyVCMZEOZQTSHISJ-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 160966104
2-(2-ethylpentylamino)-1H-pyrimidin-6-one
CID 121216565
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723585

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136867385) is 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CC1CCC(CNc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is VCMZEOZQTSHISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-2-3-9(4-8)6-12-10-5-11(15)14-7-13-10/h5,7-9H,2-4,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136867385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).