4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136964228

IUPAC4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2cc(=O)[nH]c(C)n2)C1(C)C
InChIInChI=1S/C12H19N3O2/c1-7-13-10(6-11(16)14-7)15-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyWYISONIERODCGT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds3

About 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136964228) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136964228
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2cc(=O)[nH]c(C)n2)C1(C)C
InChIInChI=1S/C12H19N3O2/c1-7-13-10(6-11(16)14-7)15-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyWYISONIERODCGT-UHFFFAOYSA-N
XLogP1.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136964228) is 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one is COC1CC(Nc2cc(=O)[nH]c(C)n2)C1(C)C.
What is the InChIKey of 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WYISONIERODCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7-13-10(6-11(16)14-7)15-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136964228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).