4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine

C12H12F2N4 — CID 80762879

IUPAC4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(F)c(F)c2)nc(C)n1
InChIInChI=1S/C12H12F2N4/c1-7-16-11(15-2)6-12(17-7)18-8-3-4-9(13)10(14)5-8/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyXDQJUSHPNLSTSC-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.85
Rot. Bonds3

About 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine

4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 80762879) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID80762879
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(F)c(F)c2)nc(C)n1
InChIInChI=1S/C12H12F2N4/c1-7-16-11(15-2)6-12(17-7)18-8-3-4-9(13)10(14)5-8/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyXDQJUSHPNLSTSC-UHFFFAOYSA-N
XLogP2.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80825639
2-tert-butyl-4-N-(3,4-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956391
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
4-N-(3-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80829480
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
1-(3,4-difluorophenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297642
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 80825643

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine (CID 80762879) is 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(F)c(F)c2)nc(C)n1.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is XDQJUSHPNLSTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-7-16-11(15-2)6-12(17-7)18-8-3-4-9(13)10(14)5-8/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).