2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one

C11H14N4O2 — CID 170186267

IUPAC2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCCCOc1nc(N)nc2cc[nH]c(=O)c12
InChIInChI=1S/C11H14N4O2/c1-2-3-6-17-10-8-7(14-11(12)15-10)4-5-13-9(8)16/h4-5H,2-3,6H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyZNVIJLDYDCEWQU-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.08
Rot. Bonds4

About 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 170186267) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID170186267
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCCCOc1nc(N)nc2cc[nH]c(=O)c12
InChIInChI=1S/C11H14N4O2/c1-2-3-6-17-10-8-7(14-11(12)15-10)4-5-13-9(8)16/h4-5H,2-3,6H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyZNVIJLDYDCEWQU-UHFFFAOYSA-N
XLogP1.08
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one (CID 170186267) is 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one is CCCCOc1nc(N)nc2cc[nH]c(=O)c12.
What is the InChIKey of 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is ZNVIJLDYDCEWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-3-6-17-10-8-7(14-11(12)15-10)4-5-13-9(8)16/h4-5H,2-3,6H2,1H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 234.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 170186267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).