6-phenylpteridine-2,4,7-triamine

C12H11N7 — CID 5546

💊View drug profile → triamterene
IUPAC6-phenylpteridine-2,4,7-triamine
SMILESNc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
InChIInChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
InChIKeyFNYLWPVRPXGIIP-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.83
Rot. Bonds1

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

6-phenylpteridine-2,4,7-triamine (PubChem CID 5546) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is 6-phenylpteridine-2,4,7-triamine.

Molecular Properties

Compound Name6-phenylpteridine-2,4,7-triamine
PubChem CID5546
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name6-phenylpteridine-2,4,7-triamine
SMILESNc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
InChIInChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
InChIKeyFNYLWPVRPXGIIP-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

2,4-Diaminoquinazoline
CID 65087
6,7-Diphenylpteridine-2,4-diamine
CID 223355
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
6,7-Bis((4-chlorophenyl)methyl)-2,4-pteridinediamine
CID 457364
4,7-Pteridinediamine, 6-chloro-N(sup 4),N(sup 4)-dimethyl-N(sup 7)-(phenylmethyl)-2-(1-piperazinyl)-
CID 3024655
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
2,4,7-Triamino-6-o-tolylpteridine
CID 95122
6-(3-Methylphenyl)pteridine-2,4,7-triamine
CID 227595
7-Ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
CID 711946
2,4,9-Trimethylbenzo(b)(1,8)naphthyridin-5-amine
CID 698490

Frequently Asked Questions

What is the IUPAC name of 6-phenylpteridine-2,4,7-triamine?
The IUPAC name of 6-phenylpteridine-2,4,7-triamine (CID 5546) is 6-phenylpteridine-2,4,7-triamine.
What is the SMILES notation for 6-phenylpteridine-2,4,7-triamine?
The canonical SMILES for 6-phenylpteridine-2,4,7-triamine is Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1.
What is the InChIKey of 6-phenylpteridine-2,4,7-triamine?
The InChIKey is FNYLWPVRPXGIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19).
What are the key properties of 6-phenylpteridine-2,4,7-triamine?
6-phenylpteridine-2,4,7-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 6-phenylpteridine-2,4,7-triamine is sourced from PubChem (CID 5546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).