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

C13H21N3O2 — CID 136956775

IUPAC4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1CCC(O)(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H21N3O2/c1-2-10-3-5-13(18,6-4-10)8-14-11-7-12(17)16-9-15-11/h7,9-10,18H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyOWAMJPDPNYLUDX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds4

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

4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956775) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956775
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1CCC(O)(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H21N3O2/c1-2-10-3-5-13(18,6-4-10)8-14-11-7-12(17)16-9-15-11/h7,9-10,18H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyOWAMJPDPNYLUDX-UHFFFAOYSA-N
XLogP1.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956214
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956755
5-bromo-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956756
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956757
4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136956760
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956773
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956774
4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956785
4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956786
4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956787
5-bromo-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956788

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136956775) is 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one is CCC1CCC(O)(CNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OWAMJPDPNYLUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-10-3-5-13(18,6-4-10)8-14-11-7-12(17)16-9-15-11/h7,9-10,18H,2-6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).