6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine

C17H20N2 — CID 123499879

IUPAC6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine
SMILESC=CC1=C(C=CC)C(c2ccccc2C)N(C)C=N1
InChIInChI=1S/C17H20N2/c1-5-9-15-16(6-2)18-12-19(4)17(15)14-11-8-7-10-13(14)3/h5-12,17H,2H2,1,3-4H3
InChIKeyXZKMPFJJICEUKH-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.03
Rot. Bonds3

About 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine

6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine (PubChem CID 123499879) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine.

Molecular Properties

Compound Name6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine
PubChem CID123499879
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine
SMILESC=CC1=C(C=CC)C(c2ccccc2C)N(C)C=N1
InChIInChI=1S/C17H20N2/c1-5-9-15-16(6-2)18-12-19(4)17(15)14-11-8-7-10-13(14)3/h5-12,17H,2H2,1,3-4H3
InChIKeyXZKMPFJJICEUKH-UHFFFAOYSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine?
The IUPAC name of 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine (CID 123499879) is 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine.
What is the SMILES notation for 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine?
The canonical SMILES for 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine is C=CC1=C(C=CC)C(c2ccccc2C)N(C)C=N1.
What is the InChIKey of 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine?
The InChIKey is XZKMPFJJICEUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-5-9-15-16(6-2)18-12-19(4)17(15)14-11-8-7-10-13(14)3/h5-12,17H,2H2,1,3-4H3.
What are the key properties of 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine?
6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine has a molecular weight of 252.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-methyl-4-(2-methylphenyl)-5-prop-1-enyl-4H-pyrimidine is sourced from PubChem (CID 123499879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).