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

C9H8N4O — CID 135966779

IUPAC4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ncccn2)n1
InChIInChI=1S/C9H8N4O/c1-6-5-7(14)13-9(12-6)8-10-3-2-4-11-8/h2-5H,1H3,(H,12,13,14)
InChIKeyDYAZURKURZQLDJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.54
Rot. Bonds1

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

4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one (PubChem CID 135966779) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one
PubChem CID135966779
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ncccn2)n1
InChIInChI=1S/C9H8N4O/c1-6-5-7(14)13-9(12-6)8-10-3-2-4-11-8/h2-5H,1H3,(H,12,13,14)
InChIKeyDYAZURKURZQLDJ-UHFFFAOYSA-N
XLogP0.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one (CID 135966779) is 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2ncccn2)n1.
What is the InChIKey of 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is DYAZURKURZQLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6-5-7(14)13-9(12-6)8-10-3-2-4-11-8/h2-5H,1H3,(H,12,13,14).
What are the key properties of 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one?
4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 188.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135966779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).