4-phenylpteridine-2,6,7-triamine

C12H11N7 — CID 119087986

IUPAC4-phenylpteridine-2,6,7-triamine
SMILESNc1nc(-c2ccccc2)c2nc(N)c(N)nc2n1
InChIInChI=1S/C12H11N7/c13-9-10(14)18-11-8(16-9)7(17-12(15)19-11)6-4-2-1-3-5-6/h1-5H,(H2,13,16)(H4,14,15,17,18,19)
InChIKeyOYUHSNWDUSVMDD-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.83
Rot. Bonds1

About 4-phenylpteridine-2,6,7-triamine

4-phenylpteridine-2,6,7-triamine (PubChem CID 119087986) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-phenylpteridine-2,6,7-triamine.

Molecular Properties

Compound Name4-phenylpteridine-2,6,7-triamine
PubChem CID119087986
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-phenylpteridine-2,6,7-triamine
SMILESNc1nc(-c2ccccc2)c2nc(N)c(N)nc2n1
InChIInChI=1S/C12H11N7/c13-9-10(14)18-11-8(16-9)7(17-12(15)19-11)6-4-2-1-3-5-6/h1-5H,(H2,13,16)(H4,14,15,17,18,19)
InChIKeyOYUHSNWDUSVMDD-UHFFFAOYSA-N
XLogP0.83
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
2,4-diamino-6-phenylpyrimidine-5-sulfonamide
CID 69298696
6-(3-bromophenyl)pteridine-2,4,7-triamine
CID 118987043
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276
4-phenylpyrimidine-2,5-diamine
CID 89253384
6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine
CID 154099945
2-(2,4,7-triaminopteridin-6-yl)phenol
CID 135735591
5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine
CID 12619924
6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
CID 161410254
6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
CID 68914225
4-phenylpyrido[3,4-d]pyrimidin-2-amine
CID 122439857
7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine
CID 76847208

Frequently Asked Questions

What is the IUPAC name of 4-phenylpteridine-2,6,7-triamine?
The IUPAC name of 4-phenylpteridine-2,6,7-triamine (CID 119087986) is 4-phenylpteridine-2,6,7-triamine.
What is the SMILES notation for 4-phenylpteridine-2,6,7-triamine?
The canonical SMILES for 4-phenylpteridine-2,6,7-triamine is Nc1nc(-c2ccccc2)c2nc(N)c(N)nc2n1.
What is the InChIKey of 4-phenylpteridine-2,6,7-triamine?
The InChIKey is OYUHSNWDUSVMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c13-9-10(14)18-11-8(16-9)7(17-12(15)19-11)6-4-2-1-3-5-6/h1-5H,(H2,13,16)(H4,14,15,17,18,19).
What are the key properties of 4-phenylpteridine-2,6,7-triamine?
4-phenylpteridine-2,6,7-triamine has a molecular weight of 253.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpteridine-2,6,7-triamine is sourced from PubChem (CID 119087986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).