4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine

C18H16F2N4 — CID 112865260

IUPAC4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1C
InChIInChI=1S/C18H16F2N4/c1-11-6-7-13(8-12(11)2)23-16-9-17(22-10-21-16)24-18-14(19)4-3-5-15(18)20/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyYMMRKSINUHBLNK-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.86
Rot. Bonds4

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

4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112865260) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112865260
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1C
InChIInChI=1S/C18H16F2N4/c1-11-6-7-13(8-12(11)2)23-16-9-17(22-10-21-16)24-18-14(19)4-3-5-15(18)20/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyYMMRKSINUHBLNK-UHFFFAOYSA-N
XLogP4.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112863770
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112865234
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356913
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (CID 112865260) is 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1C.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is YMMRKSINUHBLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c1-11-6-7-13(8-12(11)2)23-16-9-17(22-10-21-16)24-18-14(19)4-3-5-15(18)20/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 326.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).