4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine

C16H16N6 — CID 16910744

IUPAC4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
SMILESC=CCNc1nc(Nc2ccc(C)cc2)c2nccnc2n1
InChIInChI=1S/C16H16N6/c1-3-8-19-16-21-14-13(17-9-10-18-14)15(22-16)20-12-6-4-11(2)5-7-12/h3-7,9-10H,1,8H2,2H3,(H2,18,19,20,21,22)
InChIKeyYSRZOZLLVNFXIQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.07
Rot. Bonds5

About 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine

4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine (PubChem CID 16910744) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
PubChem CID16910744
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
SMILESC=CCNc1nc(Nc2ccc(C)cc2)c2nccnc2n1
InChIInChI=1S/C16H16N6/c1-3-8-19-16-21-14-13(17-9-10-18-14)15(22-16)20-12-6-4-11(2)5-7-12/h3-7,9-10H,1,8H2,2H3,(H2,18,19,20,21,22)
InChIKeyYSRZOZLLVNFXIQ-UHFFFAOYSA-N
XLogP3.07
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910921
4-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16911051
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910758
2-N-benzyl-4-N-phenylpteridine-2,4-diamine
CID 16911184
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
CID 16910978
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16910874
2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
CID 16910992
2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910626

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine (CID 16910744) is 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine is C=CCNc1nc(Nc2ccc(C)cc2)c2nccnc2n1.
What is the InChIKey of 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine?
The InChIKey is YSRZOZLLVNFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-3-8-19-16-21-14-13(17-9-10-18-14)15(22-16)20-12-6-4-11(2)5-7-12/h3-7,9-10H,1,8H2,2H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine?
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine has a molecular weight of 292.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine is sourced from PubChem (CID 16910744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).