5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

C8H12N4O2 — CID 114586322

IUPAC5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCNC2)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3,9H2,(H,11,12,13)
InChIKeyBFCCDMLJCVFILY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.91
Rot. Bonds2

About 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586322) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586322
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCNC2)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3,9H2,(H,11,12,13)
InChIKeyBFCCDMLJCVFILY-UHFFFAOYSA-N
XLogP-0.91
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-6-(Pyrrolidin-3-yloxy)pyrimidin-4-ol hydrochloride
CID 66569893
4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
CID 66569894
5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241424
5-amino-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939642
5-amino-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586284
5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586293
5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586313
5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586316
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586321
5-iodo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586324
5-amino-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586332

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (CID 114586322) is 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is Nc1c(OC2CCNC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is BFCCDMLJCVFILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3,9H2,(H,11,12,13).
What are the key properties of 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).