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

C10H15N3O2 — CID 136956265

IUPAC4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2CCCO2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-10-6-9(12-7-13-10)11-4-3-8-2-1-5-15-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKeyBXRBZIYIERTSNG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.75
Rot. Bonds4

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

4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136956265) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136956265
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2CCCO2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-10-6-9(12-7-13-10)11-4-3-8-2-1-5-15-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKeyBXRBZIYIERTSNG-UHFFFAOYSA-N
XLogP0.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754606
4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785537
4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857180
4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905792
4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905802
4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956019
4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956100
5-iodo-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956262
2-methyl-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956263
5-bromo-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956264
4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956338
4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957047

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136956265) is 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one is O=c1cc(NCCC2CCCO2)nc[nH]1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is BXRBZIYIERTSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10-6-9(12-7-13-10)11-4-3-8-2-1-5-15-8/h6-8H,1-5H2,(H2,11,12,13,14).
What are the key properties of 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).