1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one

C8H12N2O — CID 138396018

IUPAC1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one
SMILES[2H]n1c(C)cc(=O)nc1C(C)C
InChIInChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)/i/hD
InChIKeyAJPIUNPJBFBUKK-DYCDLGHISA-N
MW153.20 g/mol
LogP1.20
Rot. Bonds1

About 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one

1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one (PubChem CID 138396018) has the molecular formula C8H12N2O and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one
PubChem CID138396018
Molecular FormulaC8H12N2O
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one
SMILES[2H]n1c(C)cc(=O)nc1C(C)C
InChIInChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)/i/hD
InChIKeyAJPIUNPJBFBUKK-DYCDLGHISA-N
XLogP1.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one (CID 138396018) is 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one is [2H]n1c(C)cc(=O)nc1C(C)C.
What is the InChIKey of 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one?
The InChIKey is AJPIUNPJBFBUKK-DYCDLGHISA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)/i/hD.
What are the key properties of 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one?
1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one has a molecular weight of 153.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-6-methyl-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 138396018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).