4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine

C17H14Cl2N4 — CID 112926979

IUPAC4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4/c1-11-9-16(22-15-8-7-12(18)10-14(15)19)23-17(20-11)21-13-5-3-2-4-6-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyMZJINBFTJPVSQO-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.58
Rot. Bonds4

About 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112926979) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112926979
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4/c1-11-9-16(22-15-8-7-12(18)10-14(15)19)23-17(20-11)21-13-5-3-2-4-6-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyMZJINBFTJPVSQO-UHFFFAOYSA-N
XLogP5.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926921
4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932200
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929302
4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929774
4-N-(2,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918405
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929597
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961614
2-[[2-(3-chloroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112929783
4-N-(2-chlorophenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929622
4-N-(4-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929746

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112926979) is 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is MZJINBFTJPVSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c1-11-9-16(22-15-8-7-12(18)10-14(15)19)23-17(20-11)21-13-5-3-2-4-6-13/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 345.23 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).