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

C17H13ClF2N4 — CID 112878014

IUPAC6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(Cl)c2)cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C17H13ClF2N4/c1-10-21-16(23-12-4-2-3-11(18)7-12)9-17(22-10)24-13-5-6-14(19)15(20)8-13/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyDUUOQVUWAPORHV-UHFFFAOYSA-N
MW346.77 g/mol
LogP5.20
Rot. Bonds4

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

6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112878014) has the molecular formula C17H13ClF2N4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112878014
Molecular FormulaC17H13ClF2N4
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(Cl)c2)cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C17H13ClF2N4/c1-10-21-16(23-12-4-2-3-11(18)7-12)9-17(22-10)24-13-5-6-14(19)15(20)8-13/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyDUUOQVUWAPORHV-UHFFFAOYSA-N
XLogP5.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.77
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879
4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 112877996
4-[[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878011
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877975
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965993
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
6-(3,4-difluoroanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849232
N-(3-chlorophenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850112
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112878014) is 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2cccc(Cl)c2)cc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is DUUOQVUWAPORHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4/c1-10-21-16(23-12-4-2-3-11(18)7-12)9-17(22-10)24-13-5-6-14(19)15(20)8-13/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine?
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 346.77 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112878014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).