2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine

C16H18N2 — CID 145439573

IUPAC2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine
SMILESC=C(C)c1cc(C)ccc1-c1cnc(C)nc1C
InChIInChI=1S/C16H18N2/c1-10(2)15-8-11(3)6-7-14(15)16-9-17-13(5)18-12(16)4/h6-9H,1H2,2-5H3
InChIKeyFCTUIXCFTPITRR-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.10
Rot. Bonds2

About 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine

2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine (PubChem CID 145439573) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine
PubChem CID145439573
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine
SMILESC=C(C)c1cc(C)ccc1-c1cnc(C)nc1C
InChIInChI=1S/C16H18N2/c1-10(2)15-8-11(3)6-7-14(15)16-9-17-13(5)18-12(16)4/h6-9H,1H2,2-5H3
InChIKeyFCTUIXCFTPITRR-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine?
The IUPAC name of 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine (CID 145439573) is 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine?
The canonical SMILES for 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine is C=C(C)c1cc(C)ccc1-c1cnc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine?
The InChIKey is FCTUIXCFTPITRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-10(2)15-8-11(3)6-7-14(15)16-9-17-13(5)18-12(16)4/h6-9H,1H2,2-5H3.
What are the key properties of 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine?
2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine has a molecular weight of 238.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(4-methyl-2-prop-1-en-2-ylphenyl)pyrimidine is sourced from PubChem (CID 145439573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).