6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine

C15H14BrN5 — CID 87620464

IUPAC6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2ccc(-c3ccc(Br)nc3)nc12
InChIInChI=1S/C15H14BrN5/c1-2-3-11-14-12(21-15(17)20-11)6-5-10(19-14)9-4-7-13(16)18-8-9/h4-8H,2-3H2,1H3,(H2,17,20,21)
InChIKeyCYJQJRCBAFCJDS-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.38
Rot. Bonds3

About 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine

6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 87620464) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID87620464
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2ccc(-c3ccc(Br)nc3)nc12
InChIInChI=1S/C15H14BrN5/c1-2-3-11-14-12(21-15(17)20-11)6-5-10(19-14)9-4-7-13(16)18-8-9/h4-8H,2-3H2,1H3,(H2,17,20,21)
InChIKeyCYJQJRCBAFCJDS-UHFFFAOYSA-N
XLogP3.38
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine (CID 87620464) is 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine is CCCc1nc(N)nc2ccc(-c3ccc(Br)nc3)nc12.
What is the InChIKey of 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is CYJQJRCBAFCJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-2-3-11-14-12(21-15(17)20-11)6-5-10(19-14)9-4-7-13(16)18-8-9/h4-8H,2-3H2,1H3,(H2,17,20,21).
What are the key properties of 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 344.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 87620464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).