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

C18H16F2N4O — CID 112930755

IUPAC4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)cc(Nc3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C18H16F2N4O/c1-11-9-17(23-16-8-3-12(19)10-15(16)20)24-18(21-11)22-13-4-6-14(25-2)7-5-13/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyZQQXSDVWHOJASD-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.56
Rot. Bonds5

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

4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930755) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930755
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)cc(Nc3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C18H16F2N4O/c1-11-9-17(23-16-8-3-12(19)10-15(16)20)24-18(21-11)22-13-4-6-14(25-2)7-5-13/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyZQQXSDVWHOJASD-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

4-N-(2,4-difluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931722
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110
4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930386
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930365
2-N-(3-bromophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931953
4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930724
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075
2-N-(4-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930727
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918608
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928025
2-N-(2,4-difluorophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928401

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112930755) is 4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(Nc2nc(C)cc(Nc3ccc(F)cc3F)n2)cc1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ZQQXSDVWHOJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-11-9-17(23-16-8-3-12(19)10-15(16)20)24-18(21-11)22-13-4-6-14(25-2)7-5-13/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2,4-difluorophenyl)-2-N-(4-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-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).