[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

C14H22N4O2 — CID 136879224

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2c(n1)NCCC2)N1CCCC1CCCO
InChIInChI=1S/C14H22N4O2/c19-9-2-5-11-4-1-8-18(11)13(20)12-10-17-7-3-6-15-14(17)16-12/h10-11,19H,1-9H2,(H,15,16)
InChIKeyPUFFBKJKOYTIES-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.08
Rot. Bonds4

About [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 136879224) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID136879224
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2c(n1)NCCC2)N1CCCC1CCCO
InChIInChI=1S/C14H22N4O2/c19-9-2-5-11-4-1-8-18(11)13(20)12-10-17-7-3-6-15-14(17)16-12/h10-11,19H,1-9H2,(H,15,16)
InChIKeyPUFFBKJKOYTIES-UHFFFAOYSA-N
XLogP1.08
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136878843
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136994537
(2-propylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879263
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879067
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 66389353
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850426
(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879026
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 62479974
5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 111969485
(4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63103971
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335558

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 136879224) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is O=C(c1cn2c(n1)NCCC2)N1CCCC1CCCO.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is PUFFBKJKOYTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-9-2-5-11-4-1-8-18(11)13(20)12-10-17-7-3-6-15-14(17)16-12/h10-11,19H,1-9H2,(H,15,16).
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 136879224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).