4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine

C15H16F2N2 — CID 139479780

IUPAC4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine
SMILESC=C1NC(C)=NC(Cc2cc(F)cc(F)c2)=C1CC
InChIInChI=1S/C15H16F2N2/c1-4-14-9(2)18-10(3)19-15(14)7-11-5-12(16)8-13(17)6-11/h5-6,8H,2,4,7H2,1,3H3,(H,18,19)
InChIKeyUIBLMLXSLXRHSQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.71
Rot. Bonds3

About 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine

4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine (PubChem CID 139479780) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine
PubChem CID139479780
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine
SMILESC=C1NC(C)=NC(Cc2cc(F)cc(F)c2)=C1CC
InChIInChI=1S/C15H16F2N2/c1-4-14-9(2)18-10(3)19-15(14)7-11-5-12(16)8-13(17)6-11/h5-6,8H,2,4,7H2,1,3H3,(H,18,19)
InChIKeyUIBLMLXSLXRHSQ-UHFFFAOYSA-N
XLogP3.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 44419840
CID 44419840
2-Benzyl-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-5-pyrimidinecarbonitrile
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CID 45260139
2-[(4-fluorophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 20129131
6-Benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine
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2-[2-(2,3-Difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 89000954
N-[(1Z,5Z,7E)-8-amino-2-ethenyl-7-fluoro-5-[1-(methylamino)ethenyl]-4-methylideneocta-1,5,7-trienyl]-N'-[(2,5-difluorophenyl)methyl]ethanimidamide
CID 89270664
N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide
CID 89378819
6-(4-fluorophenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106514537
N-[2-(2,4-dimethyl-1,4-dihydropyrimidin-6-yl)ethyl]-3-(3-fluorophenyl)propan-1-amine
CID 118656314
6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
CID 123488425
N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide
CID 123611073

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine (CID 139479780) is 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine is C=C1NC(C)=NC(Cc2cc(F)cc(F)c2)=C1CC.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine?
The InChIKey is UIBLMLXSLXRHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-4-14-9(2)18-10(3)19-15(14)7-11-5-12(16)8-13(17)6-11/h5-6,8H,2,4,7H2,1,3H3,(H,18,19).
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine?
4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine has a molecular weight of 262.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine is sourced from PubChem (CID 139479780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).