4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine

C21H20N6 — CID 16911015

IUPAC4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3cc(C)ccc3C)c3nccnc3n2)cc1
InChIInChI=1S/C21H20N6/c1-13-5-8-16(9-6-13)24-21-26-19-18(22-10-11-23-19)20(27-21)25-17-12-14(2)4-7-15(17)3/h4-12H,1-3H3,(H2,23,24,25,26,27)
InChIKeyQTATTWDYQIDNRA-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.83
Rot. Bonds4

About 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine

4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine (PubChem CID 16911015) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
PubChem CID16911015
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3cc(C)ccc3C)c3nccnc3n2)cc1
InChIInChI=1S/C21H20N6/c1-13-5-8-16(9-6-13)24-21-26-19-18(22-10-11-23-19)20(27-21)25-17-12-14(2)4-7-15(17)3/h4-12H,1-3H3,(H2,23,24,25,26,27)
InChIKeyQTATTWDYQIDNRA-UHFFFAOYSA-N
XLogP4.83
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
CID 16910978
4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
CID 16911002
2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
CID 16910992
4-N-(2,5-dimethylphenyl)-2-N-[(3R)-1,1-dioxothiolan-3-yl]pteridine-2,4-diamine
CID 52904705
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911093
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910921
4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine
CID 16911080
4-N-(3-chloro-4-methylphenyl)-2-N-(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911159
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine (CID 16911015) is 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine is Cc1ccc(Nc2nc(Nc3cc(C)ccc3C)c3nccnc3n2)cc1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine?
The InChIKey is QTATTWDYQIDNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-13-5-8-16(9-6-13)24-21-26-19-18(22-10-11-23-19)20(27-21)25-17-12-14(2)4-7-15(17)3/h4-12H,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine?
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16911015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).