2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

C11H15N5O2 — CID 170186114

IUPAC2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOCCNc1nc(N)nc2cc[nH]c(=O)c12
InChIInChI=1S/C11H15N5O2/c1-2-18-6-5-13-9-8-7(15-11(12)16-9)3-4-14-10(8)17/h3-4H,2,5-6H2,1H3,(H,14,17)(H3,12,13,15,16)
InChIKeyZQYQNLYYPVLUNF-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.35
Rot. Bonds5

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

2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 170186114) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID170186114
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOCCNc1nc(N)nc2cc[nH]c(=O)c12
InChIInChI=1S/C11H15N5O2/c1-2-18-6-5-13-9-8-7(15-11(12)16-9)3-4-14-10(8)17/h3-4H,2,5-6H2,1H3,(H,14,17)(H3,12,13,15,16)
InChIKeyZQYQNLYYPVLUNF-UHFFFAOYSA-N
XLogP0.35
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (CID 170186114) is 2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is CCOCCNc1nc(N)nc2cc[nH]c(=O)c12.
What is the InChIKey of 2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is ZQYQNLYYPVLUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-18-6-5-13-9-8-7(15-11(12)16-9)3-4-14-10(8)17/h3-4H,2,5-6H2,1H3,(H,14,17)(H3,12,13,15,16).
What are the key properties of 2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 249.27 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 170186114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).