4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one

C9H12N4O2 — CID 136956822

IUPAC4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=C1CCC(CNc2cc(=O)[nH]cn2)N1
InChIInChI=1S/C9H12N4O2/c14-8-2-1-6(13-8)4-10-7-3-9(15)12-5-11-7/h3,5-6H,1-2,4H2,(H,13,14)(H2,10,11,12,15)
InChIKeyIUPQHGMFBLPDJX-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.54
Rot. Bonds3

About 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one

4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956822) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956822
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=C1CCC(CNc2cc(=O)[nH]cn2)N1
InChIInChI=1S/C9H12N4O2/c14-8-2-1-6(13-8)4-10-7-3-9(15)12-5-11-7/h3,5-6H,1-2,4H2,(H,13,14)(H2,10,11,12,15)
InChIKeyIUPQHGMFBLPDJX-UHFFFAOYSA-N
XLogP-0.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121119275
3-[(5-Oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162707
6-Chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130517274
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672455
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]-1H-pyrimidin-6-one
CID 136679999
4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731508
4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780972
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780986
4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780994
4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781013

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136956822) is 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is O=C1CCC(CNc2cc(=O)[nH]cn2)N1.
What is the InChIKey of 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is IUPQHGMFBLPDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-2-1-6(13-8)4-10-7-3-9(15)12-5-11-7/h3,5-6H,1-2,4H2,(H,13,14)(H2,10,11,12,15).
What are the key properties of 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 208.22 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).