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

C10H14N4O2 — CID 136680001

IUPAC2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CNC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-2-7-13-8(4-10(16)14-7)12-6-3-9(15)11-5-6/h4,6H,2-3,5H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyMKNACMJNVKBMOX-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.37
Rot. Bonds3

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

2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136680001) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136680001
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CNC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-2-7-13-8(4-10(16)14-7)12-6-3-9(15)11-5-6/h4,6H,2-3,5H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyMKNACMJNVKBMOX-UHFFFAOYSA-N
XLogP-0.37
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
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]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136679994
2-cyclopropyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679996
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731509
2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734039
2-ethyl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780975
2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780982

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136680001) is 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CCc1nc(NC2CNC(=O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is MKNACMJNVKBMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-2-7-13-8(4-10(16)14-7)12-6-3-9(15)11-5-6/h4,6H,2-3,5H2,1H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136680001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).