2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136820291

IUPAC2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
SMILESCOC(C)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-7(16-2)6-12-9-5-10(15)14-11(13-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyABQVPQOGLAQSQF-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.09
Rot. Bonds5

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

2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136820291) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136820291
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
SMILESCOC(C)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-7(16-2)6-12-9-5-10(15)14-11(13-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyABQVPQOGLAQSQF-UHFFFAOYSA-N
XLogP1.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one (CID 136820291) is 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one is COC(C)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is ABQVPQOGLAQSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(16-2)6-12-9-5-10(15)14-11(13-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136820291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).