(3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

C11H16N4O3 — CID 136745742

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2c(n1)NCCC2)N1CC(O)C(O)C1
InChIInChI=1S/C11H16N4O3/c16-8-5-15(6-9(8)17)10(18)7-4-14-3-1-2-12-11(14)13-7/h4,8-9,16-17H,1-3,5-6H2,(H,12,13)
InChIKeyJWULLWYTXGFVBI-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.12
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 136745742) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID136745742
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2c(n1)NCCC2)N1CC(O)C(O)C1
InChIInChI=1S/C11H16N4O3/c16-8-5-15(6-9(8)17)10(18)7-4-14-3-1-2-12-11(14)13-7/h4,8-9,16-17H,1-3,5-6H2,(H,12,13)
InChIKeyJWULLWYTXGFVBI-UHFFFAOYSA-N
XLogP-1.12
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 136745742) is (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is O=C(c1cn2c(n1)NCCC2)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is JWULLWYTXGFVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-8-5-15(6-9(8)17)10(18)7-4-14-3-1-2-12-11(14)13-7/h4,8-9,16-17H,1-3,5-6H2,(H,12,13).
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 252.27 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 136745742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).