5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one

C8H10N4O3 — CID 168703723

IUPAC5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CC(O)CC2=O)nc[nH]c1=O
InChIInChI=1S/C8H10N4O3/c9-6-7(10-3-11-8(6)15)12-2-4(13)1-5(12)14/h3-4,13H,1-2,9H2,(H,10,11,15)
InChIKeyKHMXLKRVJGHRCU-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.55
Rot. Bonds1

About 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 168703723) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID168703723
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CC(O)CC2=O)nc[nH]c1=O
InChIInChI=1S/C8H10N4O3/c9-6-7(10-3-11-8(6)15)12-2-4(13)1-5(12)14/h3-4,13H,1-2,9H2,(H,10,11,15)
InChIKeyKHMXLKRVJGHRCU-UHFFFAOYSA-N
XLogP-1.55
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 168703723) is 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one is Nc1c(N2CC(O)CC2=O)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is KHMXLKRVJGHRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-6-7(10-3-11-8(6)15)12-2-4(13)1-5(12)14/h3-4,13H,1-2,9H2,(H,10,11,15).
What are the key properties of 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 210.19 g/mol, XLogP of -1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 168703723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).