4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

C17H14Cl2N4 — CID 112902002

IUPAC4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(Nc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C17H14Cl2N4/c1-11-2-4-12(5-3-11)22-17-20-9-8-16(23-17)21-13-6-7-14(18)15(19)10-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyCMHFMOXXSGXMTB-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.58
Rot. Bonds4

About 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112902002) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112902002
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(Nc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C17H14Cl2N4/c1-11-2-4-12(5-3-11)22-17-20-9-8-16(23-17)21-13-6-7-14(18)15(19)10-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyCMHFMOXXSGXMTB-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-(3,4-dichlorophenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901934
2-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112906657
4-N-tert-butyl-2-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899778
2-N-tert-butyl-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899845
4-N-(3-chloro-4-methylphenyl)-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904069
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
2-N-(3-chloro-4-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890332
4-N-(3-chloro-4-methylphenyl)-2-N-[4-(diethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904070
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112904304
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902014
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 112902002) is 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(Nc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is CMHFMOXXSGXMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c1-11-2-4-12(5-3-11)22-17-20-9-8-16(23-17)21-13-6-7-14(18)15(19)10-13/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-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-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).