5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114207002

IUPAC5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(N)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H19N3O2/c1-8-4-3-5-12(6-8,17-2)11-14-7-9(13)10(16)15-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyJFKBJVVQKUTNLP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.40
Rot. Bonds2

About 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 114207002) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID114207002
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(N)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H19N3O2/c1-8-4-3-5-12(6-8,17-2)11-14-7-9(13)10(16)15-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyJFKBJVVQKUTNLP-UHFFFAOYSA-N
XLogP1.40
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983393
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559580
5-(aminomethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113563478
5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114206995
5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 114207018
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916
2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744928
5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745479
5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745491
2-(1-ethoxy-3-methylcyclohexyl)-5-iodo-1H-pyrimidin-6-one
CID 116745495

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 114207002) is 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is COC1(c2ncc(N)c(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is JFKBJVVQKUTNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-4-3-5-12(6-8,17-2)11-14-7-9(13)10(16)15-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114207002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).