5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

C12H17N3O — CID 84684851

IUPAC5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCNC2)ncc1C1CC1
InChIInChI=1S/C12H17N3O/c16-12-10(9-1-2-9)7-14-11(15-12)5-8-3-4-13-6-8/h7-9,13H,1-6H2,(H,14,15,16)
InChIKeyGXGRQZGQGZUESS-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.80
Rot. Bonds3

About 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84684851) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84684851
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCNC2)ncc1C1CC1
InChIInChI=1S/C12H17N3O/c16-12-10(9-1-2-9)7-14-11(15-12)5-8-3-4-13-6-8/h7-9,13H,1-6H2,(H,14,15,16)
InChIKeyGXGRQZGQGZUESS-UHFFFAOYSA-N
XLogP0.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 84684851) is 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC2CCNC2)ncc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is GXGRQZGQGZUESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12-10(9-1-2-9)7-14-11(15-12)5-8-3-4-13-6-8/h7-9,13H,1-6H2,(H,14,15,16).
What are the key properties of 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 219.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84684851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).