4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one

C14H23N3O2 — CID 136960390

IUPAC4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(N)cc(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-19-14(7-5-13(2,3)6-8-14)12-16-10(15)9-11(18)17-12/h9H,4-8H2,1-3H3,(H3,15,16,17,18)
InChIKeyWVTGMNYRXRSCIW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.18
Rot. Bonds3

About 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one

4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 136960390) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID136960390
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(N)cc(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-19-14(7-5-13(2,3)6-8-14)12-16-10(15)9-11(18)17-12/h9H,4-8H2,1-3H3,(H3,15,16,17,18)
InChIKeyWVTGMNYRXRSCIW-UHFFFAOYSA-N
XLogP2.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963838
5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963839
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744925
2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744927
2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116744932

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one (CID 136960390) is 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one is CCOC1(c2nc(N)cc(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is WVTGMNYRXRSCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-14(7-5-13(2,3)6-8-14)12-16-10(15)9-11(18)17-12/h9H,4-8H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136960390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).