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

C11H14N4O — CID 162656916

IUPAC4-butoxypyrido[3,2-d]pyrimidin-2-amine
SMILESCCCCOc1nc(N)nc2cccnc12
InChIInChI=1S/C11H14N4O/c1-2-3-7-16-10-9-8(5-4-6-13-9)14-11(12)15-10/h4-6H,2-3,7H2,1H3,(H2,12,14,15)
InChIKeyPQYDNRHVFOSPNA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.79
Rot. Bonds4

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

4-butoxypyrido[3,2-d]pyrimidin-2-amine (PubChem CID 162656916) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-butoxypyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-butoxypyrido[3,2-d]pyrimidin-2-amine
PubChem CID162656916
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-butoxypyrido[3,2-d]pyrimidin-2-amine
SMILESCCCCOc1nc(N)nc2cccnc12
InChIInChI=1S/C11H14N4O/c1-2-3-7-16-10-9-8(5-4-6-13-9)14-11(12)15-10/h4-6H,2-3,7H2,1H3,(H2,12,14,15)
InChIKeyPQYDNRHVFOSPNA-UHFFFAOYSA-N
XLogP1.79
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxypyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-butoxypyrido[3,2-d]pyrimidin-2-amine (CID 162656916) is 4-butoxypyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-butoxypyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-butoxypyrido[3,2-d]pyrimidin-2-amine is CCCCOc1nc(N)nc2cccnc12.
What is the InChIKey of 4-butoxypyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is PQYDNRHVFOSPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-3-7-16-10-9-8(5-4-6-13-9)14-11(12)15-10/h4-6H,2-3,7H2,1H3,(H2,12,14,15).
What are the key properties of 4-butoxypyrido[3,2-d]pyrimidin-2-amine?
4-butoxypyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxypyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 162656916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).