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

C14H23N3O2 — CID 136976108

IUPAC2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(O)CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-2-11-16-12(9-13(18)17-11)15-10-14(19)7-5-3-4-6-8-14/h9,19H,2-8,10H2,1H3,(H2,15,16,17,18)
InChIKeyZJQMROWLVIYJCZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.83
Rot. Bonds4

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

2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976108) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976108
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(O)CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-2-11-16-12(9-13(18)17-11)15-10-14(19)7-5-3-4-6-8-14/h9,19H,2-8,10H2,1H3,(H2,15,16,17,18)
InChIKeyZJQMROWLVIYJCZ-UHFFFAOYSA-N
XLogP1.83
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
4-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136819389
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956755
4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956759
4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136956760
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956774
4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956787
4-[(1-hydroxycyclopentyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956796
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956812
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956905
2-ethyl-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136976071

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one (CID 136976108) is 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2(O)CCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZJQMROWLVIYJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-11-16-12(9-13(18)17-11)15-10-14(19)7-5-3-4-6-8-14/h9,19H,2-8,10H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).