2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one

C12H21N5O3 — CID 135454025

IUPAC2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one
SMILESCCOCCOCCN1CNc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C12H21N5O3/c1-2-19-5-6-20-4-3-17-7-9-10(14-8-17)15-12(13)16-11(9)18/h2-8H2,1H3,(H4,13,14,15,16,18)
InChIKeyIFWMXZKGZHNCLA-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.41
Rot. Bonds7

About 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one

2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one (PubChem CID 135454025) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one
PubChem CID135454025
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one
SMILESCCOCCOCCN1CNc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C12H21N5O3/c1-2-19-5-6-20-4-3-17-7-9-10(14-8-17)15-12(13)16-11(9)18/h2-8H2,1H3,(H4,13,14,15,16,18)
InChIKeyIFWMXZKGZHNCLA-UHFFFAOYSA-N
XLogP-0.41
TPSA105.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one (CID 135454025) is 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one is CCOCCOCCN1CNc2nc(N)[nH]c(=O)c2C1.
What is the InChIKey of 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one?
The InChIKey is IFWMXZKGZHNCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-2-19-5-6-20-4-3-17-7-9-10(14-8-17)15-12(13)16-11(9)18/h2-8H2,1H3,(H4,13,14,15,16,18).
What are the key properties of 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one?
2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one has a molecular weight of 283.33 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(2-ethoxyethoxy)ethyl]-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one is sourced from PubChem (CID 135454025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).