4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C18H16F2N4O — CID 112930545

IUPAC4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(C)cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H16F2N4O/c1-11-9-17(22-12-7-8-13(19)14(20)10-12)24-18(21-11)23-15-5-3-4-6-16(15)25-2/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeySQCWNRWHQWWFNF-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.56
Rot. Bonds5

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

4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930545) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930545
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(C)cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H16F2N4O/c1-11-9-17(22-12-7-8-13(19)14(20)10-12)24-18(21-11)23-15-5-3-4-6-16(15)25-2/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeySQCWNRWHQWWFNF-UHFFFAOYSA-N
XLogP4.56
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931941
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
4-N-[4-(diethylamino)phenyl]-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930510
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930517
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
4-N-(2-methoxyphenyl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930435
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390
2-[[2-(2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930539
4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930602
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
2-N-(3-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931959

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112930545) is 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccccc1Nc1nc(C)cc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is SQCWNRWHQWWFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-11-9-17(22-12-7-8-13(19)14(20)10-12)24-18(21-11)23-15-5-3-4-6-16(15)25-2/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 342.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).