6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine

C12H13FN2 — CID 123786161

IUPAC6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine
SMILESCC1=NCC=C(c2ccc(F)c(C)c2)N1
InChIInChI=1S/C12H13FN2/c1-8-7-10(3-4-11(8)13)12-5-6-14-9(2)15-12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyYKDOJFUWAZIROX-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.50
Rot. Bonds1

About 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine

6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine (PubChem CID 123786161) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine
PubChem CID123786161
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine
SMILESCC1=NCC=C(c2ccc(F)c(C)c2)N1
InChIInChI=1S/C12H13FN2/c1-8-7-10(3-4-11(8)13)12-5-6-14-9(2)15-12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyYKDOJFUWAZIROX-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine (CID 123786161) is 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine is CC1=NCC=C(c2ccc(F)c(C)c2)N1.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine?
The InChIKey is YKDOJFUWAZIROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-8-7-10(3-4-11(8)13)12-5-6-14-9(2)15-12/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine?
6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine has a molecular weight of 204.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 123786161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).