6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine

C15H16N6 — CID 145262493

IUPAC6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESC=C/C=C\C(=C/C=C)Nc1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C15H16N6/c1-3-5-7-10(6-4-2)18-12-9-8-11-13(20-12)14(16)21-15(17)19-11/h3-9H,1-2H2,(H,18,20)(H4,16,17,19,21)/b7-5-,10-6+
InChIKeyXJVIWZQKJMEEKQ-ZPRNNRRZSA-N
MW280.34 g/mol
LogP2.41
Rot. Bonds5

About 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine

6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 145262493) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID145262493
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESC=C/C=C\C(=C/C=C)Nc1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C15H16N6/c1-3-5-7-10(6-4-2)18-12-9-8-11-13(20-12)14(16)21-15(17)19-11/h3-9H,1-2H2,(H,18,20)(H4,16,17,19,21)/b7-5-,10-6+
InChIKeyXJVIWZQKJMEEKQ-ZPRNNRRZSA-N
XLogP2.41
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 145262493) is 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine is C=C/C=C\C(=C/C=C)Nc1ccc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is XJVIWZQKJMEEKQ-ZPRNNRRZSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-5-7-10(6-4-2)18-12-9-8-11-13(20-12)14(16)21-15(17)19-11/h3-9H,1-2H2,(H,18,20)(H4,16,17,19,21)/b7-5-,10-6+.
What are the key properties of 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine?
6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 280.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 145262493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).