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

C9H12N4O3 — CID 136679992

IUPAC5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CNC(=O)C2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c1-16-7-8(11-4-12-9(7)15)13-5-2-6(14)10-3-5/h4-5H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyQRBJQKNOFQSZAI-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.92
Rot. Bonds3

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

5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136679992) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136679992
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CNC(=O)C2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c1-16-7-8(11-4-12-9(7)15)13-5-2-6(14)10-3-5/h4-5H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyQRBJQKNOFQSZAI-UHFFFAOYSA-N
XLogP-0.92
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038
5-methoxy-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780980
5-methoxy-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780988
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
5-methoxy-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781015
5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781025
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794232
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794237

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136679992) is 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is COc1c(NC2CNC(=O)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is QRBJQKNOFQSZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-16-7-8(11-4-12-9(7)15)13-5-2-6(14)10-3-5/h4-5H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15).
What are the key properties of 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 224.22 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136679992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).