6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine

C11H12F2N4 — CID 118567818

IUPAC6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine
SMILESCNC1C=C(c2ccc(F)cc2F)NC(N)=N1
InChIInChI=1S/C11H12F2N4/c1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h2-5,10,15H,1H3,(H3,14,16,17)
InChIKeyHJWLWXUYAZWDCZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.77
Rot. Bonds2

About 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine

6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine (PubChem CID 118567818) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine
PubChem CID118567818
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine
SMILESCNC1C=C(c2ccc(F)cc2F)NC(N)=N1
InChIInChI=1S/C11H12F2N4/c1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h2-5,10,15H,1H3,(H3,14,16,17)
InChIKeyHJWLWXUYAZWDCZ-UHFFFAOYSA-N
XLogP0.77
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine?
The IUPAC name of 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine (CID 118567818) is 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine is CNC1C=C(c2ccc(F)cc2F)NC(N)=N1.
What is the InChIKey of 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine?
The InChIKey is HJWLWXUYAZWDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h2-5,10,15H,1H3,(H3,14,16,17).
What are the key properties of 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine?
6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine has a molecular weight of 238.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine is sourced from PubChem (CID 118567818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).