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

C10H14N4O3 — CID 136975922

IUPAC5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCC(=O)N2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c1-17-8-9(12-5-13-10(8)16)11-4-6-2-3-7(15)14-6/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyXMKBAJVNFFLZRS-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.53
Rot. Bonds4

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

5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975922) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975922
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCC(=O)N2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c1-17-8-9(12-5-13-10(8)16)11-4-6-2-3-7(15)14-6/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyXMKBAJVNFFLZRS-UHFFFAOYSA-N
XLogP-0.53
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956821
4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136989825
5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398
5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975085
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137016550
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976362
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136989486

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136975922) is 5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2CCC(=O)N2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is XMKBAJVNFFLZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-8-9(12-5-13-10(8)16)11-4-6-2-3-7(15)14-6/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 238.25 g/mol, XLogP of -0.53, 4 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-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).