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

C8H12N2O2 — CID 54504972

IUPAC5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCc1cnc(OC(C)C)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-5(2)12-8-9-4-6(3)7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyUFYRCNLONGPZRV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.87
Rot. Bonds2

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

5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 54504972) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID54504972
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCc1cnc(OC(C)C)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-5(2)12-8-9-4-6(3)7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyUFYRCNLONGPZRV-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 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one (CID 54504972) is 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one is Cc1cnc(OC(C)C)[nH]c1=O.
What is the InChIKey of 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is UFYRCNLONGPZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)12-8-9-4-6(3)7(11)10-8/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
5-methyl-2-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 5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 54504972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).