[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol

C11H17N3O2 — CID 83184365

IUPAC[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1nc(N2CCCC2CO)ncc1CO
InChIInChI=1S/C11H17N3O2/c1-8-9(6-15)5-12-11(13-8)14-4-2-3-10(14)7-16/h5,10,15-16H,2-4,6-7H2,1H3
InChIKeyBZHPCLMZFPQXTC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.24
Rot. Bonds3

About [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol

[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 83184365) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID83184365
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1nc(N2CCCC2CO)ncc1CO
InChIInChI=1S/C11H17N3O2/c1-8-9(6-15)5-12-11(13-8)14-4-2-3-10(14)7-16/h5,10,15-16H,2-4,6-7H2,1H3
InChIKeyBZHPCLMZFPQXTC-UHFFFAOYSA-N
XLogP0.24
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
[1-(5-ethyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279196
[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279282
1-[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186290
[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184289
N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83178519
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
CID 90958967
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 83184745
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23541154

Frequently Asked Questions

What is the IUPAC name of [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 83184365) is [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol is Cc1nc(N2CCCC2CO)ncc1CO.
What is the InChIKey of [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is BZHPCLMZFPQXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-9(6-15)5-12-11(13-8)14-4-2-3-10(14)7-16/h5,10,15-16H,2-4,6-7H2,1H3.
What are the key properties of [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 223.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 83184365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).