4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 114586475

IUPAC4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2(N)CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-14-10(16)7-11(15-9)17-8-12(13)5-3-2-4-6-12/h7H,2-6,8,13H2,1H3,(H,14,15,16)
InChIKeyOQTJGUCFFIQICX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds3

About 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one

4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 114586475) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID114586475
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2(N)CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-14-10(16)7-11(15-9)17-8-12(13)5-3-2-4-6-12/h7H,2-6,8,13H2,1H3,(H,14,15,16)
InChIKeyOQTJGUCFFIQICX-UHFFFAOYSA-N
XLogP1.12
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240516
2-methyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240633
4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 103240646
2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240655
2-ethyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240657
4-(cyclohexylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241607
4-(cyclohexylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241608
4-(3-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 103241728
4-[(1-aminocyclopentyl)methoxy]-2-ethyl-1H-pyrimidin-6-one
CID 113604878
4-[(1-aminocyclopentyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604879
4-(2-ethylhexoxy)-2-methyl-1H-pyrimidin-6-one
CID 113792604
4-(2-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113792627

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one (CID 114586475) is 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC2(N)CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OQTJGUCFFIQICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-14-10(16)7-11(15-9)17-8-12(13)5-3-2-4-6-12/h7H,2-6,8,13H2,1H3,(H,14,15,16).
What are the key properties of 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).