4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine

C21H19ClN6 — CID 16911130

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)cc1Cl
InChIInChI=1S/C21H19ClN6/c1-14-7-8-16(13-17(14)22)26-20-18-19(24-12-11-23-18)27-21(28-20)25-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H2,24,25,26,27,28)
InChIKeySDQBDYUIKBIGSV-UHFFFAOYSA-N
MW390.88 g/mol
LogP4.78
Rot. Bonds6

About 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine

4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine (PubChem CID 16911130) has the molecular formula C21H19ClN6 and a molecular weight of 390.88 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine
PubChem CID16911130
Molecular FormulaC21H19ClN6
Molecular Weight390.88 g/mol
Exact Mass390.14
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)cc1Cl
InChIInChI=1S/C21H19ClN6/c1-14-7-8-16(13-17(14)22)26-20-18-19(24-12-11-23-18)27-21(28-20)25-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H2,24,25,26,27,28)
InChIKeySDQBDYUIKBIGSV-UHFFFAOYSA-N
XLogP4.78
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-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

Related Compounds

4-N-(3-chloro-4-methylphenyl)-2-N-(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911159
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
2-N-benzyl-4-N-phenylpteridine-2,4-diamine
CID 16911184
2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910758
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16910874
4-N-(4-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16910687
6-N-benzyl-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546566
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894006
4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
CID 51699968
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine (CID 16911130) is 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine is Cc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine?
The InChIKey is SDQBDYUIKBIGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6/c1-14-7-8-16(13-17(14)22)26-20-18-19(24-12-11-23-18)27-21(28-20)25-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine?
4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine has a molecular weight of 390.88 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine is sourced from PubChem (CID 16911130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).