2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C13H21N3O — CID 136867424

IUPAC2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCCC2C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-3-11-15-12(7-13(17)16-11)14-8-10-6-4-5-9(10)2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyGVBLTHMBGPVNOY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.18
Rot. Bonds4

About 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136867424) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136867424
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCCC2C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-3-11-15-12(7-13(17)16-11)14-8-10-6-4-5-9(10)2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyGVBLTHMBGPVNOY-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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-(2-methylcyclopentyl)-1H-pyrimidin-6-one
CID 133671978
4-amino-2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
CID 136252090
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
2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701809

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136867424) is 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2CCCC2C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GVBLTHMBGPVNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11-15-12(7-13(17)16-11)14-8-10-6-4-5-9(10)2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136867424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).