4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C15H25N3O2 — CID 114586523

IUPAC4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2CCCCC2CN)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(2)15-17-13(19)7-14(18-15)20-9-12-6-4-3-5-11(12)8-16/h7,10-12H,3-6,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyKIEHSSNBAROSAA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.04
Rot. Bonds5

About 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114586523) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114586523
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2CCCCC2CN)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(2)15-17-13(19)7-14(18-15)20-9-12-6-4-3-5-11(12)8-16/h7,10-12H,3-6,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyKIEHSSNBAROSAA-UHFFFAOYSA-N
XLogP2.04
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173262
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173263
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-cyclopropyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240641
2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240647
4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240650
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
2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103241709
4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241721

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 114586523) is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCC2CCCCC2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KIEHSSNBAROSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)15-17-13(19)7-14(18-15)20-9-12-6-4-3-5-11(12)8-16/h7,10-12H,3-6,8-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).