4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine

C14H12N6 — CID 143934207

IUPAC4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine
SMILESCc1ncncc1-c1ncc(-c2ncccn2)c(C)n1
InChIInChI=1S/C14H12N6/c1-9-11(6-15-8-19-9)14-18-7-12(10(2)20-14)13-16-4-3-5-17-13/h3-8H,1-2H3
InChIKeyKJKNRNKQAOUCPE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.01
Rot. Bonds2

About 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine

4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine (PubChem CID 143934207) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine
PubChem CID143934207
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine
SMILESCc1ncncc1-c1ncc(-c2ncccn2)c(C)n1
InChIInChI=1S/C14H12N6/c1-9-11(6-15-8-19-9)14-18-7-12(10(2)20-14)13-16-4-3-5-17-13/h3-8H,1-2H3
InChIKeyKJKNRNKQAOUCPE-UHFFFAOYSA-N
XLogP2.01
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine (CID 143934207) is 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine is Cc1ncncc1-c1ncc(-c2ncccn2)c(C)n1.
What is the InChIKey of 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine?
The InChIKey is KJKNRNKQAOUCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-9-11(6-15-8-19-9)14-18-7-12(10(2)20-14)13-16-4-3-5-17-13/h3-8H,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine?
4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine has a molecular weight of 264.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 143934207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).