5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one

C12H19N3O2 — CID 103241706

IUPAC5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCC(Oc2nc[nH]c(=O)c2N)CC1C
InChIInChI=1S/C12H19N3O2/c1-7-3-4-9(5-8(7)2)17-12-10(13)11(16)14-6-15-12/h6-9H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyLLPCGWXEZACIPF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds2

About 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one

5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103241706) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103241706
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCC(Oc2nc[nH]c(=O)c2N)CC1C
InChIInChI=1S/C12H19N3O2/c1-7-3-4-9(5-8(7)2)17-12-10(13)11(16)14-6-15-12/h6-9H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyLLPCGWXEZACIPF-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine
CID 102988254
5-amino-4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586594
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586552
4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103241726
5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 114676079
6-(3,4-dimethylcyclohexyl)oxypyridin-2-amine
CID 80653440
3-(3,4-dimethylcyclohexyl)oxy-5-ethoxyaniline
CID 80748644
5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine
CID 64744714
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one
CID 106825680

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103241706) is 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one is CC1CCC(Oc2nc[nH]c(=O)c2N)CC1C.
What is the InChIKey of 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is LLPCGWXEZACIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7-3-4-9(5-8(7)2)17-12-10(13)11(16)14-6-15-12/h6-9H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).