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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Related Compounds

CID 44419881
CID 44419881
N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 334449
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
CID 10374995
CID 44419840
CID 44419840
N-tert-butyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419860
N-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419865
CID 44419866
CID 44419866
CID 44419867
CID 44419867
CID 44419876
CID 44419876
CID 44419878
CID 44419878
CID 44419894
CID 44419894
CID 44419895
CID 44419895

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).