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

C11H18N4O2 — CID 136754604

IUPAC5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCCCO2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(14-7-15-11(9)16)13-5-4-8-3-1-2-6-17-8/h7-8H,1-6,12H2,(H2,13,14,15,16)
InChIKeyOFSBDJLMXKTKIN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds4

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

5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136754604) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136754604
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCCCO2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(14-7-15-11(9)16)13-5-4-8-3-1-2-6-17-8/h7-8H,1-6,12H2,(H2,13,14,15,16)
InChIKeyOFSBDJLMXKTKIN-UHFFFAOYSA-N
XLogP0.72
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[2-(oxan-2-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-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586378
5-bromo-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754598
5-iodo-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754599
5-chloro-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754600
4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754606
5-amino-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857175
5-amino-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136974085
5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974438
5-amino-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974509
5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136975034
5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
CID 136975758
5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136976685

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136754604) is 5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one is Nc1c(NCCC2CCCCO2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is OFSBDJLMXKTKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-9-10(14-7-15-11(9)16)13-5-4-8-3-1-2-6-17-8/h7-8H,1-6,12H2,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.72, 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-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).