2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one

C11H18N4O2 — CID 23525154

IUPAC2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCn1c(N)nc(NC2CC2)cc1=O
InChIInChI=1S/C11H18N4O2/c1-2-17-6-5-15-10(16)7-9(14-11(15)12)13-8-3-4-8/h7-8,13H,2-6H2,1H3,(H2,12,14)
InChIKeyDITJUNCRTHFKTG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one

2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one (PubChem CID 23525154) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
PubChem CID23525154
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCn1c(N)nc(NC2CC2)cc1=O
InChIInChI=1S/C11H18N4O2/c1-2-17-6-5-15-10(16)7-9(14-11(15)12)13-8-3-4-8/h7-8,13H,2-6H2,1H3,(H2,12,14)
InChIKeyDITJUNCRTHFKTG-UHFFFAOYSA-N
XLogP0.44
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
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-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one (CID 23525154) is 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one is CCOCCn1c(N)nc(NC2CC2)cc1=O.
What is the InChIKey of 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one?
The InChIKey is DITJUNCRTHFKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-17-6-5-15-10(16)7-9(14-11(15)12)13-8-3-4-8/h7-8,13H,2-6H2,1H3,(H2,12,14).
What are the key properties of 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one?
2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 23525154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).