[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

C12H18N4O2 — CID 136994537

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2c(n1)NCCC2)N1CCCC1CO
InChIInChI=1S/C12H18N4O2/c17-8-9-3-1-6-16(9)11(18)10-7-15-5-2-4-13-12(15)14-10/h7,9,17H,1-6,8H2,(H,13,14)
InChIKeyFHNLFDCUTYKZFV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.30
Rot. Bonds2

About [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 136994537) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID136994537
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2c(n1)NCCC2)N1CCCC1CO
InChIInChI=1S/C12H18N4O2/c17-8-9-3-1-6-16(9)11(18)10-7-15-5-2-4-13-12(15)14-10/h7,9,17H,1-6,8H2,(H,13,14)
InChIKeyFHNLFDCUTYKZFV-UHFFFAOYSA-N
XLogP0.30
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879224
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136878843
(2-propylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879263
(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879067
(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879026
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 66261240
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879160
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609321
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 136994537) is [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is O=C(c1cn2c(n1)NCCC2)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is FHNLFDCUTYKZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-8-9-3-1-6-16(9)11(18)10-7-15-5-2-4-13-12(15)14-10/h7,9,17H,1-6,8H2,(H,13,14).
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 136994537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).