4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C8H12N2O — CID 135444498

IUPAC4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyAJPIUNPJBFBUKK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.20
Rot. Bonds1

About 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135444498) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135444498
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyAJPIUNPJBFBUKK-UHFFFAOYSA-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 ≤ 500152.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 135444498) is 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AJPIUNPJBFBUKK-UHFFFAOYSA-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).
What are the key properties of 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 152.20 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 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135444498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).