5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

C11H15N3O — CID 84673326

IUPAC5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCN2)ncc1C1CC1
InChIInChI=1S/C11H15N3O/c15-11-8(7-3-4-7)6-13-10(14-11)9-2-1-5-12-9/h6-7,9,12H,1-5H2,(H,13,14,15)
InChIKeyWQUDRIMUKBRMFX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.07
Rot. Bonds2

About 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (PubChem CID 84673326) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
PubChem CID84673326
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCN2)ncc1C1CC1
InChIInChI=1S/C11H15N3O/c15-11-8(7-3-4-7)6-13-10(14-11)9-2-1-5-12-9/h6-7,9,12H,1-5H2,(H,13,14,15)
InChIKeyWQUDRIMUKBRMFX-UHFFFAOYSA-N
XLogP1.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
5-(3-aminopropyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 83878469
2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one
CID 84652113
5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84656985
2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one
CID 84656988
5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84656989
2-(aminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 84658046
2-(azetidin-3-yl)-5-cyclopropyl-1H-pyrimidin-6-one
CID 84663296
5-ethyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84664920
2-(2-aminopropyl)-5-cyclopropyl-1H-pyrimidin-6-one
CID 84664931
2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 84666371
5-cyclopropyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84673325

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (CID 84673326) is 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCN2)ncc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is WQUDRIMUKBRMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-8(7-3-4-7)6-13-10(14-11)9-2-1-5-12-9/h6-7,9,12H,1-5H2,(H,13,14,15).
What are the key properties of 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 205.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84673326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).