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

C19H20ClN5 — CID 11221946

IUPAC5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN5/c1-2-16-17(18(21)25-19(22)24-16)13-5-9-15(10-6-13)23-11-12-3-7-14(20)8-4-12/h3-10,23H,2,11H2,1H3,(H4,21,22,24,25)
InChIKeyRZMJPDSNFIAJRD-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.14
Rot. Bonds5

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

5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine (PubChem CID 11221946) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
PubChem CID11221946
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN5/c1-2-16-17(18(21)25-19(22)24-16)13-5-9-15(10-6-13)23-11-12-3-7-14(20)8-4-12/h3-10,23H,2,11H2,1H3,(H4,21,22,24,25)
InChIKeyRZMJPDSNFIAJRD-UHFFFAOYSA-N
XLogP4.14
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(4-chlorophenyl)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-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine (CID 11221946) is 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The InChIKey is RZMJPDSNFIAJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-2-16-17(18(21)25-19(22)24-16)13-5-9-15(10-6-13)23-11-12-3-7-14(20)8-4-12/h3-10,23H,2,11H2,1H3,(H4,21,22,24,25).
What are the key properties of 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine has a molecular weight of 353.86 g/mol, XLogP of 4.14, 5 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-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 11221946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).