4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 136758193

IUPAC4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C)C2CO)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-3-4-14(9(7)6-15)10-5-11(16)13-8(2)12-10/h5,7,9,15H,3-4,6H2,1-2H3,(H,12,13,16)
InChIKeyZGUCBQLUZCWXOI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.29
Rot. Bonds2

About 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136758193) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136758193
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C)C2CO)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-3-4-14(9(7)6-15)10-5-11(16)13-8(2)12-10/h5,7,9,15H,3-4,6H2,1-2H3,(H,12,13,16)
InChIKeyZGUCBQLUZCWXOI-UHFFFAOYSA-N
XLogP0.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136758191
2-ethyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758192
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758194
2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758197
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766320
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136766327
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781042
4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136817763
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880680
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880681

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136758193) is 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC(C)C2CO)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZGUCBQLUZCWXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-3-4-14(9(7)6-15)10-5-11(16)13-8(2)12-10/h5,7,9,15H,3-4,6H2,1-2H3,(H,12,13,16).
What are the key properties of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136758193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).