ethane;4-(3-methylphenyl)pyrimidine

C13H16N2 — CID 178100798

IUPACethane;4-(3-methylphenyl)pyrimidine
SMILESCC.Cc1cccc(-c2ccncn2)c1
InChIInChI=1S/C11H10N2.C2H6/c1-9-3-2-4-10(7-9)11-5-6-12-8-13-11;1-2/h2-8H,1H3;1-2H3
InChIKeyLLHXKQJEHPRWQP-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.48
Rot. Bonds1

About ethane;4-(3-methylphenyl)pyrimidine

ethane;4-(3-methylphenyl)pyrimidine (PubChem CID 178100798) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethane;4-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Nameethane;4-(3-methylphenyl)pyrimidine
PubChem CID178100798
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Nameethane;4-(3-methylphenyl)pyrimidine
SMILESCC.Cc1cccc(-c2ccncn2)c1
InChIInChI=1S/C11H10N2.C2H6/c1-9-3-2-4-10(7-9)11-5-6-12-8-13-11;1-2/h2-8H,1H3;1-2H3
InChIKeyLLHXKQJEHPRWQP-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
4-[3-(2-methylphenyl)phenyl]pyrimidine
CID 146397292
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
3-pyrimidin-4-ylbenzamide
CID 67036490
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
CID 59722147
4-(2,3-dimethylphenyl)pyrimidine;ethane
CID 144625343
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
4-methyl-5-(3-methylphenyl)pyrimidine
CID 178100912
4-(9-methyldibenzothiophen-3-yl)pyrimidine
CID 146397241

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methylphenyl)pyrimidine?
The IUPAC name of ethane;4-(3-methylphenyl)pyrimidine (CID 178100798) is ethane;4-(3-methylphenyl)pyrimidine.
What is the SMILES notation for ethane;4-(3-methylphenyl)pyrimidine?
The canonical SMILES for ethane;4-(3-methylphenyl)pyrimidine is CC.Cc1cccc(-c2ccncn2)c1.
What is the InChIKey of ethane;4-(3-methylphenyl)pyrimidine?
The InChIKey is LLHXKQJEHPRWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.C2H6/c1-9-3-2-4-10(7-9)11-5-6-12-8-13-11;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;4-(3-methylphenyl)pyrimidine?
ethane;4-(3-methylphenyl)pyrimidine has a molecular weight of 200.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 178100798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).