(3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone

C10H13N3O — CID 127942811

IUPAC(3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone
SMILESCC1CCN(C(=O)c2ccncn2)C1
InChIInChI=1S/C10H13N3O/c1-8-3-5-13(6-8)10(14)9-2-4-11-7-12-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyJKXIUFOQHIALEC-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.96
Rot. Bonds1

About (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone

(3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone (PubChem CID 127942811) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone
PubChem CID127942811
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone
SMILESCC1CCN(C(=O)c2ccncn2)C1
InChIInChI=1S/C10H13N3O/c1-8-3-5-13(6-8)10(14)9-2-4-11-7-12-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyJKXIUFOQHIALEC-UHFFFAOYSA-N
XLogP0.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone (CID 127942811) is (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone is CC1CCN(C(=O)c2ccncn2)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone?
The InChIKey is JKXIUFOQHIALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-3-5-13(6-8)10(14)9-2-4-11-7-12-9/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone?
(3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone has a molecular weight of 191.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone is sourced from PubChem (CID 127942811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).