3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide

C15H22N4O3 — CID 110258036

IUPAC3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(C2CCCN2C(=O)CO)nc(C)n1
InChIInChI=1S/C15H22N4O3/c1-10-17-11(5-6-14(21)16-2)8-12(18-10)13-4-3-7-19(13)15(22)9-20/h8,13,20H,3-7,9H2,1-2H3,(H,16,21)
InChIKeyOOUDXDSGLNRMRY-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.12
Rot. Bonds5

About 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide

3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide (PubChem CID 110258036) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
PubChem CID110258036
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(C2CCCN2C(=O)CO)nc(C)n1
InChIInChI=1S/C15H22N4O3/c1-10-17-11(5-6-14(21)16-2)8-12(18-10)13-4-3-7-19(13)15(22)9-20/h8,13,20H,3-7,9H2,1-2H3,(H,16,21)
InChIKeyOOUDXDSGLNRMRY-UHFFFAOYSA-N
XLogP0.12
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide?
The IUPAC name of 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide (CID 110258036) is 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide?
The canonical SMILES for 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide is CNC(=O)CCc1cc(C2CCCN2C(=O)CO)nc(C)n1.
What is the InChIKey of 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide?
The InChIKey is OOUDXDSGLNRMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-17-11(5-6-14(21)16-2)8-12(18-10)13-4-3-7-19(13)15(22)9-20/h8,13,20H,3-7,9H2,1-2H3,(H,16,21).
What are the key properties of 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide?
3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide has a molecular weight of 306.37 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(2-hydroxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 110258036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).