5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine

C19H19Cl2N5 — CID 11280673

IUPAC5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2N5/c1-2-16-17(18(22)26-19(23)25-16)12-4-6-13(7-5-12)24-10-11-3-8-14(20)15(21)9-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26)
InChIKeyRBIUIGNTQJKKIX-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.79
Rot. Bonds5

About 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine

5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine (PubChem CID 11280673) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
PubChem CID11280673
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Name5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2N5/c1-2-16-17(18(22)26-19(23)25-16)12-4-6-13(7-5-12)24-10-11-3-8-14(20)15(21)9-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26)
InChIKeyRBIUIGNTQJKKIX-UHFFFAOYSA-N
XLogP4.79
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine (CID 11280673) is 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The InChIKey is RBIUIGNTQJKKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c1-2-16-17(18(22)26-19(23)25-16)12-4-6-13(7-5-12)24-10-11-3-8-14(20)15(21)9-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26).
What are the key properties of 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine has a molecular weight of 388.30 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 11280673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).