4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine

C19H18F2N4 — CID 112877504

IUPAC4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2c(C)cccc2C)cc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C19H18F2N4/c1-11-6-4-7-12(2)18(11)24-16-10-17(23-13(3)22-16)25-19-14(20)8-5-9-15(19)21/h4-10H,1-3H3,(H2,22,23,24,25)
InChIKeyYTYBUVXLZXZWNE-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.17
Rot. Bonds4

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

4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112877504) has the molecular formula C19H18F2N4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112877504
Molecular FormulaC19H18F2N4
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2c(C)cccc2C)cc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C19H18F2N4/c1-11-6-4-7-12(2)18(11)24-16-10-17(23-13(3)22-16)25-19-14(20)8-5-9-15(19)21/h4-10H,1-3H3,(H2,22,23,24,25)
InChIKeyYTYBUVXLZXZWNE-UHFFFAOYSA-N
XLogP5.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112879163
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851
4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878475
2-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877501
N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112877486
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876442
6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373516
methyl 4-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877490
4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871390
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873908

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine (CID 112877504) is 4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2c(C)cccc2C)cc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is YTYBUVXLZXZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4/c1-11-6-4-7-12(2)18(11)24-16-10-17(23-13(3)22-16)25-19-14(20)8-5-9-15(19)21/h4-10H,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 340.38 g/mol, XLogP of 5.17, 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-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).