2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one

C8H12N2O2 — CID 166796823

IUPAC2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCc1ncc(OC(C)C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-5(2)12-7-4-9-6(3)10-8(7)11/h4-5H,1-3H3,(H,9,10,11)
InChIKeyWKYIDEDQPGAWIR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.87
Rot. Bonds2

About 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one

2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 166796823) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID166796823
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCc1ncc(OC(C)C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-5(2)12-7-4-9-6(3)10-8(7)11/h4-5H,1-3H3,(H,9,10,11)
InChIKeyWKYIDEDQPGAWIR-UHFFFAOYSA-N
XLogP0.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one (CID 166796823) is 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one is Cc1ncc(OC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is WKYIDEDQPGAWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)12-7-4-9-6(3)10-8(7)11/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one?
2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 166796823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).