4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one

C10H13N3O2 — CID 168662722

IUPAC4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
SMILESCc1ncc(N2CC(CO)CC2=O)cn1
InChIInChI=1S/C10H13N3O2/c1-7-11-3-9(4-12-7)13-5-8(6-14)2-10(13)15/h3-4,8,14H,2,5-6H2,1H3
InChIKeyXJHGDYYIJWHBLD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.13
Rot. Bonds2

About 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one (PubChem CID 168662722) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
PubChem CID168662722
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
SMILESCc1ncc(N2CC(CO)CC2=O)cn1
InChIInChI=1S/C10H13N3O2/c1-7-11-3-9(4-12-7)13-5-8(6-14)2-10(13)15/h3-4,8,14H,2,5-6H2,1H3
InChIKeyXJHGDYYIJWHBLD-UHFFFAOYSA-N
XLogP0.13
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
1-(3-bromo-5-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 107579664
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662678
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
4-(hydroxymethyl)-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168662716

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one (CID 168662722) is 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one is Cc1ncc(N2CC(CO)CC2=O)cn1.
What is the InChIKey of 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one?
The InChIKey is XJHGDYYIJWHBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-11-3-9(4-12-7)13-5-8(6-14)2-10(13)15/h3-4,8,14H,2,5-6H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168662722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).