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

C15H25N3O — CID 136974286

IUPAC2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCC(CC)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-3-11-5-7-12(8-6-11)10-16-14-9-15(19)18-13(4-2)17-14/h9,11-12H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyKTQYAZGHBZICTL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.96
Rot. Bonds5

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

2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974286) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974286
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCC(CC)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-3-11-5-7-12(8-6-11)10-16-14-9-15(19)18-13(4-2)17-14/h9,11-12H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyKTQYAZGHBZICTL-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974289
2-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016321
4-[(1,1-dioxothiolan-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136976507
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
4-(cyclopropylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103240776
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879297
2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976085
4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 137273825
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934958

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136974286) is 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2CCC(CC)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KTQYAZGHBZICTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-11-5-7-12(8-6-11)10-16-14-9-15(19)18-13(4-2)17-14/h9,11-12H,3-8,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).