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

C10H14N4O2 — CID 136864276

IUPAC2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCN(C)C2=O)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-6-11-8(5-9(15)12-6)13-7-3-4-14(2)10(7)16/h5,7H,3-4H2,1-2H3,(H2,11,12,13,15)
InChIKeyNHEUSGKANCBCCI-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.28
Rot. Bonds2

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

2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136864276) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136864276
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCN(C)C2=O)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-6-11-8(5-9(15)12-6)13-7-3-4-14(2)10(7)16/h5,7H,3-4H2,1-2H3,(H2,11,12,13,15)
InChIKeyNHEUSGKANCBCCI-UHFFFAOYSA-N
XLogP-0.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
1-Methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrazin-2-one
CID 103703301
3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrazin-2-one
CID 103703308
1-Methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
CID 105023328
1-Ethyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
CID 105023329
3-[(1-Methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one
CID 106258040
3-[(1-Methyl-2-oxopyrrolidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 106258306
5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106258393
1-Ethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrazin-2-one
CID 106258428
6-Chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114581647
1-(4-Methyl-3-oxopyrazin-2-yl)-3-(1-methyl-5-oxopyrrolidin-3-yl)urea
CID 127849009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136864276) is 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CCN(C)C2=O)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is NHEUSGKANCBCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-11-8(5-9(15)12-6)13-7-3-4-14(2)10(7)16/h5,7H,3-4H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).