6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine

C17H20N6 — CID 155514408

IUPAC6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESCCCCN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C17H20N6/c1-2-3-11-23(12-7-5-4-6-8-12)14-10-9-13-15(21-14)16(18)22-17(19)20-13/h4-10H,2-3,11H2,1H3,(H4,18,19,20,22)
InChIKeyHBUSZFNDYRWBGK-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.13
Rot. Bonds5

About 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine

6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 155514408) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID155514408
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESCCCCN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C17H20N6/c1-2-3-11-23(12-7-5-4-6-8-12)14-10-9-13-15(21-14)16(18)22-17(19)20-13/h4-10H,2-3,11H2,1H3,(H4,18,19,20,22)
InChIKeyHBUSZFNDYRWBGK-UHFFFAOYSA-N
XLogP3.13
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Triamterene
CID 5546
6,11-Dihydroquinoxalino[2,3-b]quinoxaline
CID 616479
2-Quinoxalinecarbonitrile, 3-(4-(2-propenyl)-1-piperazinyl)-
CID 3073499
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
4-Anilino quinazoline deriv. 18
CID 5328017
6,7-Diphenylpteridine-2,4-diamine
CID 223355
N-(3-bromophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 5328273
4-N-(3-bromophenyl)pyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328274
4-N-(3-bromophenyl)-6-N-methylpyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328277
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328278

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 155514408) is 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine is CCCCN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is HBUSZFNDYRWBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-3-11-23(12-7-5-4-6-8-12)14-10-9-13-15(21-14)16(18)22-17(19)20-13/h4-10H,2-3,11H2,1H3,(H4,18,19,20,22).
What are the key properties of 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 308.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 155514408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).