4-ethyl-5-methyl-2-phenylpyrimidine

C13H14N2 — CID 150383613

IUPAC4-ethyl-5-methyl-2-phenylpyrimidine
SMILESCCc1nc(-c2ccccc2)ncc1C
InChIInChI=1S/C13H14N2/c1-3-12-10(2)9-14-13(15-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyHAGDGDXOUGZUGF-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.01
Rot. Bonds2

About 4-ethyl-5-methyl-2-phenylpyrimidine

4-ethyl-5-methyl-2-phenylpyrimidine (PubChem CID 150383613) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-phenylpyrimidine
PubChem CID150383613
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4-ethyl-5-methyl-2-phenylpyrimidine
SMILESCCc1nc(-c2ccccc2)ncc1C
InChIInChI=1S/C13H14N2/c1-3-12-10(2)9-14-13(15-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyHAGDGDXOUGZUGF-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-phenyl-4-propan-2-ylpyrimidine
CID 177268699
2,4-diethyl-5-methylpyrimidine
CID 59174285
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine
CID 114245218
N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 114245322
6,8-dimethyl-2-phenylquinazoline
CID 132546022
4-(2-methylpropyl)-2-phenylpyrimidine-5-carbonitrile
CID 46845791
1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine
CID 170888827
2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine
CID 79218247
7-methyl-2-phenylquinazoline
CID 102363369
2-phenylquinazoline
CID 158733567
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-phenylpyrimidine?
The IUPAC name of 4-ethyl-5-methyl-2-phenylpyrimidine (CID 150383613) is 4-ethyl-5-methyl-2-phenylpyrimidine.
What is the SMILES notation for 4-ethyl-5-methyl-2-phenylpyrimidine?
The canonical SMILES for 4-ethyl-5-methyl-2-phenylpyrimidine is CCc1nc(-c2ccccc2)ncc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-phenylpyrimidine?
The InChIKey is HAGDGDXOUGZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-3-12-10(2)9-14-13(15-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2-phenylpyrimidine?
4-ethyl-5-methyl-2-phenylpyrimidine has a molecular weight of 198.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-phenylpyrimidine is sourced from PubChem (CID 150383613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).