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

C10H16N4O2 — CID 136786680

IUPAC5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCOC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-3-1-7-2-4-16-5-7/h6-7H,1-5,11H2,(H2,12,13,14,15)
InChIKeySNDZAWULBPQTTK-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.19
Rot. Bonds4

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

5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136786680) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136786680
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCOC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-3-1-7-2-4-16-5-7/h6-7H,1-5,11H2,(H2,12,13,14,15)
InChIKeySNDZAWULBPQTTK-UHFFFAOYSA-N
XLogP0.19
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[2-(oxolan-3-yl)ethylamino]-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

5-amino-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796357
5-amino-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 135709704
5-amino-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786671
5-iodo-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786681
4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786683
5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819535
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
5-amino-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901123
5-amino-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905785
5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905795
5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974438
5-amino-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974505

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one (CID 136786680) is 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one is Nc1c(NCCC2CCOC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is SNDZAWULBPQTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-3-1-7-2-4-16-5-7/h6-7H,1-5,11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136786680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).