4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C8H10N4O2 — CID 136679999

IUPAC4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1CC(Nc2cc(=O)[nH]cn2)CN1
InChIInChI=1S/C8H10N4O2/c13-7-1-5(3-9-7)12-6-2-8(14)11-4-10-6/h2,4-5H,1,3H2,(H,9,13)(H2,10,11,12,14)
InChIKeySHOFZPABVKEXFQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.93
Rot. Bonds2

About 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136679999) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136679999
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1CC(Nc2cc(=O)[nH]cn2)CN1
InChIInChI=1S/C8H10N4O2/c13-7-1-5(3-9-7)12-6-2-8(14)11-4-10-6/h2,4-5H,1,3H2,(H,9,13)(H2,10,11,12,14)
InChIKeySHOFZPABVKEXFQ-UHFFFAOYSA-N
XLogP-0.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136562356
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679991
5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679993
4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136679994
5-chloro-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679995
2-cyclopropyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679996
5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679997
5-bromo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680000
2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680001
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794230
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794233

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136679999) is 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is O=C1CC(Nc2cc(=O)[nH]cn2)CN1.
What is the InChIKey of 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is SHOFZPABVKEXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-7-1-5(3-9-7)12-6-2-8(14)11-4-10-6/h2,4-5H,1,3H2,(H,9,13)(H2,10,11,12,14).
What are the key properties of 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 194.19 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136679999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).