4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one

C9H14N2O2 — CID 130551615

IUPAC4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one
SMILESCc1ccn(COC(C)C)c(=O)n1
InChIInChI=1S/C9H14N2O2/c1-7(2)13-6-11-5-4-8(3)10-9(11)12/h4-5,7H,6H2,1-3H3
InChIKeyWCSGOUNRVPEXFO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.93
Rot. Bonds3

About 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one

4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one (PubChem CID 130551615) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one
PubChem CID130551615
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one
SMILESCc1ccn(COC(C)C)c(=O)n1
InChIInChI=1S/C9H14N2O2/c1-7(2)13-6-11-5-4-8(3)10-9(11)12/h4-5,7H,6H2,1-3H3
InChIKeyWCSGOUNRVPEXFO-UHFFFAOYSA-N
XLogP0.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The IUPAC name of 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one (CID 130551615) is 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one is Cc1ccn(COC(C)C)c(=O)n1.
What is the InChIKey of 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The InChIKey is WCSGOUNRVPEXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)13-6-11-5-4-8(3)10-9(11)12/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one?
4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(propan-2-yloxymethyl)pyrimidin-2-one is sourced from PubChem (CID 130551615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).