5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine

C25H24ClN5 — CID 11654867

IUPAC5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(CCc2ccccc2)n1
InChIInChI=1S/C25H24ClN5/c26-20-11-6-18(7-12-20)16-29-21-13-9-19(10-14-21)23-22(30-25(28)31-24(23)27)15-8-17-4-2-1-3-5-17/h1-7,9-14,29H,8,15-16H2,(H4,27,28,30,31)
InChIKeyGWZJEFHVGSPENX-UHFFFAOYSA-N
MW429.96 g/mol
LogP5.36
Rot. Bonds7

About 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine

5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 11654867) has the molecular formula C25H24ClN5 and a molecular weight of 429.96 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID11654867
Molecular FormulaC25H24ClN5
Molecular Weight429.96 g/mol
Exact Mass429.17
IUPAC Name5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(CCc2ccccc2)n1
InChIInChI=1S/C25H24ClN5/c26-20-11-6-18(7-12-20)16-29-21-13-9-19(10-14-21)23-22(30-25(28)31-24(23)27)15-8-17-4-2-1-3-5-17/h1-7,9-14,29H,8,15-16H2,(H4,27,28,30,31)
InChIKeyGWZJEFHVGSPENX-UHFFFAOYSA-N
XLogP5.36
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.96
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimethamine
CID 4993
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 10126186
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 10286977
5-(4-Chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
CID 23423608
Ezurpimtrostat
CID 121305180
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 697231
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine (CID 11654867) is 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(CCc2ccccc2)n1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is GWZJEFHVGSPENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5/c26-20-11-6-18(7-12-20)16-29-21-13-9-19(10-14-21)23-22(30-25(28)31-24(23)27)15-8-17-4-2-1-3-5-17/h1-7,9-14,29H,8,15-16H2,(H4,27,28,30,31).
What are the key properties of 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine?
5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 429.96 g/mol, XLogP of 5.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11654867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).