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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Related Compounds

1-(2-ethoxyethyl)pyrrole-2,5-diamine
CID 89286556
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104350
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-(cyclopropylamino)-4-(2-ethoxyethyl)-1,4-benzoxazin-3-one
CID 58006097
2-N-cyclopropyl-6-propoxypyridine-2,5-diamine
CID 43260902
6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 66325264
2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile
CID 142974316
1-cyclopropyl-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16965168

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).