6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine

C16H18N6 — CID 155567321

IUPAC6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESCCCN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C16H18N6/c1-2-10-22(11-6-4-3-5-7-11)13-9-8-12-14(20-13)15(17)21-16(18)19-12/h3-9H,2,10H2,1H3,(H4,17,18,19,21)
InChIKeyRDEPGVQYUOEARD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.74
Rot. Bonds4

About 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine

6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 155567321) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID155567321
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESCCCN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C16H18N6/c1-2-10-22(11-6-4-3-5-7-11)13-9-8-12-14(20-13)15(17)21-16(18)19-12/h3-9H,2,10H2,1H3,(H4,17,18,19,21)
InChIKeyRDEPGVQYUOEARD-UHFFFAOYSA-N
XLogP2.74
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 155567321) is 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine is CCCN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is RDEPGVQYUOEARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-10-22(11-6-4-3-5-7-11)13-9-8-12-14(20-13)15(17)21-16(18)19-12/h3-9H,2,10H2,1H3,(H4,17,18,19,21).
What are the key properties of 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 294.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 155567321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).