4,5,6-trimethyl-1H-pyrimidin-2-one

C7H10N2O — CID 586611

IUPAC4,5,6-trimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1C
InChIInChI=1S/C7H10N2O/c1-4-5(2)8-7(10)9-6(4)3/h1-3H3,(H,8,9,10)
InChIKeyZRQPOQRDNYJQNB-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.70
Rot. Bonds

About 4,5,6-trimethyl-1H-pyrimidin-2-one

4,5,6-trimethyl-1H-pyrimidin-2-one (PubChem CID 586611) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4,5,6-trimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,5,6-trimethyl-1H-pyrimidin-2-one
PubChem CID586611
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4,5,6-trimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1C
InChIInChI=1S/C7H10N2O/c1-4-5(2)8-7(10)9-6(4)3/h1-3H3,(H,8,9,10)
InChIKeyZRQPOQRDNYJQNB-UHFFFAOYSA-N
XLogP0.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-1H-pyrimidin-2-one?
The IUPAC name of 4,5,6-trimethyl-1H-pyrimidin-2-one (CID 586611) is 4,5,6-trimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4,5,6-trimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 4,5,6-trimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-1H-pyrimidin-2-one?
The InChIKey is ZRQPOQRDNYJQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-5(2)8-7(10)9-6(4)3/h1-3H3,(H,8,9,10).
What are the key properties of 4,5,6-trimethyl-1H-pyrimidin-2-one?
4,5,6-trimethyl-1H-pyrimidin-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 586611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).