6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one

C13H19N3O — CID 126857755

IUPAC6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
SMILESCc1nc(C2CC2)cc(=O)n1CC1CCCN1
InChIInChI=1S/C13H19N3O/c1-9-15-12(10-4-5-10)7-13(17)16(9)8-11-3-2-6-14-11/h7,10-11,14H,2-6,8H2,1H3
InChIKeyAVHMDYCUOCWDGL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds3

About 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one

6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one (PubChem CID 126857755) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
PubChem CID126857755
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
SMILESCc1nc(C2CC2)cc(=O)n1CC1CCCN1
InChIInChI=1S/C13H19N3O/c1-9-15-12(10-4-5-10)7-13(17)16(9)8-11-3-2-6-14-11/h7,10-11,14H,2-6,8H2,1H3
InChIKeyAVHMDYCUOCWDGL-UHFFFAOYSA-N
XLogP1.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one (CID 126857755) is 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one is Cc1nc(C2CC2)cc(=O)n1CC1CCCN1.
What is the InChIKey of 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is AVHMDYCUOCWDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-15-12(10-4-5-10)7-13(17)16(9)8-11-3-2-6-14-11/h7,10-11,14H,2-6,8H2,1H3.
What are the key properties of 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one?
6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).