2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine

C18H15ClF2N4O — CID 112930365

IUPAC2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1nc(C)cc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H15ClF2N4O/c1-10-7-17(23-14-5-4-12(20)9-13(14)21)25-18(22-10)24-15-8-11(19)3-6-16(15)26-2/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyGRBKNFLEPWTCSE-UHFFFAOYSA-N
MW376.79 g/mol
LogP5.21
Rot. Bonds5

About 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine

2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930365) has the molecular formula C18H15ClF2N4O and a molecular weight of 376.79 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930365
Molecular FormulaC18H15ClF2N4O
Molecular Weight376.79 g/mol
Exact Mass376.09
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1nc(C)cc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H15ClF2N4O/c1-10-7-17(23-14-5-4-12(20)9-13(14)21)25-18(22-10)24-15-8-11(19)3-6-16(15)26-2/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyGRBKNFLEPWTCSE-UHFFFAOYSA-N
XLogP5.21
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.79
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929597
4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930022
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928420
4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930755
2-[[2-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930367
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
4-N-(5-chloro-2-methoxyphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918369
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110
2-N-(5-chloro-2-methoxyphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917276
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112930365) is 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(Cl)cc1Nc1nc(C)cc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is GRBKNFLEPWTCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O/c1-10-7-17(23-14-5-4-12(20)9-13(14)21)25-18(22-10)24-15-8-11(19)3-6-16(15)26-2/h3-9H,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 376.79 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).