2-methyl-4-pyrimidin-4-ylpyrimidine

C9H8N4 — CID 54062248

IUPAC2-methyl-4-pyrimidin-4-ylpyrimidine
SMILESCc1nccc(-c2ccncn2)n1
InChIInChI=1S/C9H8N4/c1-7-11-5-3-9(13-7)8-2-4-10-6-12-8/h2-6H,1H3
InChIKeyURMFHIRAVKTGAS-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.24
Rot. Bonds1

About 2-methyl-4-pyrimidin-4-ylpyrimidine

2-methyl-4-pyrimidin-4-ylpyrimidine (PubChem CID 54062248) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-methyl-4-pyrimidin-4-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrimidin-4-ylpyrimidine
PubChem CID54062248
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name2-methyl-4-pyrimidin-4-ylpyrimidine
SMILESCc1nccc(-c2ccncn2)n1
InChIInChI=1S/C9H8N4/c1-7-11-5-3-9(13-7)8-2-4-10-6-12-8/h2-6H,1H3
InChIKeyURMFHIRAVKTGAS-UHFFFAOYSA-N
XLogP1.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolo[3,2-d][1,3]diazepine
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4-(6-bromo-2-pyridinyl)pyrimidine
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3-(2-methylpyrimidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137012896
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine
CID 91581110
4-(1-methylimidazol-2-yl)pyrimidine
CID 157435351
2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine
CID 164941747
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
4-(3-methylthiophen-2-yl)pyrimidine
CID 129068181
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
hydron;4-methylpyrimidine
CID 174915530
3-pyrimidin-4-yl-1,2-thiazole
CID 91474403

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrimidin-4-ylpyrimidine?
The IUPAC name of 2-methyl-4-pyrimidin-4-ylpyrimidine (CID 54062248) is 2-methyl-4-pyrimidin-4-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-pyrimidin-4-ylpyrimidine?
The canonical SMILES for 2-methyl-4-pyrimidin-4-ylpyrimidine is Cc1nccc(-c2ccncn2)n1.
What is the InChIKey of 2-methyl-4-pyrimidin-4-ylpyrimidine?
The InChIKey is URMFHIRAVKTGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-7-11-5-3-9(13-7)8-2-4-10-6-12-8/h2-6H,1H3.
What are the key properties of 2-methyl-4-pyrimidin-4-ylpyrimidine?
2-methyl-4-pyrimidin-4-ylpyrimidine has a molecular weight of 172.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 54062248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).