6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine

C18H20N4O — CID 166635370

IUPAC6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine
SMILESCCCCOc1nc(N)nc2ccc(Cc3ccccc3)nc12
InChIInChI=1S/C18H20N4O/c1-2-3-11-23-17-16-15(21-18(19)22-17)10-9-14(20-16)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H2,19,21,22)
InChIKeyMVSIIMLSEYHUOZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.38
Rot. Bonds6

About 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine

6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine (PubChem CID 166635370) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine
PubChem CID166635370
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine
SMILESCCCCOc1nc(N)nc2ccc(Cc3ccccc3)nc12
InChIInChI=1S/C18H20N4O/c1-2-3-11-23-17-16-15(21-18(19)22-17)10-9-14(20-16)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H2,19,21,22)
InChIKeyMVSIIMLSEYHUOZ-UHFFFAOYSA-N
XLogP3.38
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine (CID 166635370) is 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine is CCCCOc1nc(N)nc2ccc(Cc3ccccc3)nc12.
What is the InChIKey of 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is MVSIIMLSEYHUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-3-11-23-17-16-15(21-18(19)22-17)10-9-14(20-16)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H2,19,21,22).
What are the key properties of 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine?
6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-butoxypyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 166635370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).