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

C8H11N5O2 — CID 136679993

IUPAC5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2CNC(=O)C2)nc[nH]c1=O
InChIInChI=1S/C8H11N5O2/c9-6-7(11-3-12-8(6)15)13-4-1-5(14)10-2-4/h3-4H,1-2,9H2,(H,10,14)(H2,11,12,13,15)
InChIKeyRHUNNQAGDCENLD-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.35
Rot. Bonds2

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

5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136679993) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136679993
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2CNC(=O)C2)nc[nH]c1=O
InChIInChI=1S/C8H11N5O2/c9-6-7(11-3-12-8(6)15)13-4-1-5(14)10-2-4/h3-4H,1-2,9H2,(H,10,14)(H2,11,12,13,15)
InChIKeyRHUNNQAGDCENLD-UHFFFAOYSA-N
XLogP-1.35
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 136477530
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 136477546
5-amino-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135786488
2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679991
5-chloro-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679995
5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679997
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
5-bromo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680000
2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680001
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794230
5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864275
5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864277

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136679993) is 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is Nc1c(NC2CNC(=O)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is RHUNNQAGDCENLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-6-7(11-3-12-8(6)15)13-4-1-5(14)10-2-4/h3-4H,1-2,9H2,(H,10,14)(H2,11,12,13,15).
What are the key properties of 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 209.21 g/mol, XLogP of -1.35, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136679993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).