4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136960401

IUPAC4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(N)c(C)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H23N3O2/c1-9-10(15)16-12(17-11(9)18)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H3,15,16,17,18)
InChIKeyAIWLJNICGAEEMZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.10
Rot. Bonds2

About 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one

4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136960401) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136960401
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(N)c(C)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H23N3O2/c1-9-10(15)16-12(17-11(9)18)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H3,15,16,17,18)
InChIKeyAIWLJNICGAEEMZ-UHFFFAOYSA-N
XLogP2.10
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963834
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
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559538
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
5-bromo-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559577
5-(chloromethyl)-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 114205226
2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116744932
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745109

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one (CID 136960401) is 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one is COC1(c2nc(N)c(C)c(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is AIWLJNICGAEEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-10(15)16-12(17-11(9)18)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one?
4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136960401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).