2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one

C11H17N3O3 — CID 136713915

IUPAC2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
SMILESCOC(CNc1cc(=O)[nH]c(C2CC2)n1)OC
InChIInChI=1S/C11H17N3O3/c1-16-10(17-2)6-12-8-5-9(15)14-11(13-8)7-3-4-7/h5,7,10H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyHUFNEVAWPKWNNS-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.68
Rot. Bonds6

About 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136713915) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136713915
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
SMILESCOC(CNc1cc(=O)[nH]c(C2CC2)n1)OC
InChIInChI=1S/C11H17N3O3/c1-16-10(17-2)6-12-8-5-9(15)14-11(13-8)7-3-4-7/h5,7,10H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyHUFNEVAWPKWNNS-UHFFFAOYSA-N
XLogP0.68
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one (CID 136713915) is 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one is COC(CNc1cc(=O)[nH]c(C2CC2)n1)OC.
What is the InChIKey of 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is HUFNEVAWPKWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-10(17-2)6-12-8-5-9(15)14-11(13-8)7-3-4-7/h5,7,10H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136713915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).