5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C10H14N4O3 — CID 136864281

IUPAC5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCN(C)C2=O)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c1-14-4-3-6(10(14)16)13-8-7(17-2)9(15)12-5-11-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13,15)
InChIKeyWGCNFDUWQYQCKO-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.58
Rot. Bonds3

About 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136864281) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136864281
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCN(C)C2=O)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c1-14-4-3-6(10(14)16)13-8-7(17-2)9(15)12-5-11-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13,15)
InChIKeyWGCNFDUWQYQCKO-UHFFFAOYSA-N
XLogP-0.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136864281) is 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCN(C)C2=O)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WGCNFDUWQYQCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-14-4-3-6(10(14)16)13-8-7(17-2)9(15)12-5-11-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 238.25 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).