5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine

C11H10F2N2 — CID 91806733

IUPAC5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine
SMILESCN1C=NC=C(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H10F2N2/c1-15-6-9(5-14-7-15)8-2-3-10(12)11(13)4-8/h2-5,7H,6H2,1H3
InChIKeyWPNVTDMKKCPXTL-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.28
Rot. Bonds1

About 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine

5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine (PubChem CID 91806733) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine
PubChem CID91806733
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine
SMILESCN1C=NC=C(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H10F2N2/c1-15-6-9(5-14-7-15)8-2-3-10(12)11(13)4-8/h2-5,7H,6H2,1H3
InChIKeyWPNVTDMKKCPXTL-UHFFFAOYSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Formamidine, N,N-dimethyl-N'-phenethyl-
CID 27487
N,N-Dimethyl-N'-(phenylmethyl)methanimidamide
CID 523875
Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-5-phenyl-, monohydrochloride
CID 3087477
N,N'-Bis(1-methyl-2-phenylethyl)-N-methylmethanimidamide
CID 3046296
1-(2-Phenylethyl)-4,5-dihydroimidazole
CID 15787616
1-Benzyl-1-methylimidazol-1-ium
CID 87169512
1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine
CID 3087478
5-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546193
1-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidine
CID 20546232
5-(2,6-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546238
5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546295
5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546364

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine (CID 91806733) is 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine is CN1C=NC=C(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine?
The InChIKey is WPNVTDMKKCPXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c1-15-6-9(5-14-7-15)8-2-3-10(12)11(13)4-8/h2-5,7H,6H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine?
5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine has a molecular weight of 208.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-methyl-4H-pyrimidine is sourced from PubChem (CID 91806733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).