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

C11H17N3O2 — CID 136754606

IUPAC4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2CCCCO2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-11-7-10(13-8-14-11)12-5-4-9-3-1-2-6-16-9/h7-9H,1-6H2,(H2,12,13,14,15)
InChIKeyRLCBFMUNSAXHTQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.14
Rot. Bonds4

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

4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136754606) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136754606
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2CCCCO2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-11-7-10(13-8-14-11)12-5-4-9-3-1-2-6-16-9/h7-9H,1-6H2,(H2,12,13,14,15)
InChIKeyRLCBFMUNSAXHTQ-UHFFFAOYSA-N
XLogP1.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754603
5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754604
2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754605
4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136754607
4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857180
4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956265
4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956338
4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
CID 136956677
4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957566

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136754606) is 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one is O=c1cc(NCCC2CCCCO2)nc[nH]1.
What is the InChIKey of 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is RLCBFMUNSAXHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11-7-10(13-8-14-11)12-5-4-9-3-1-2-6-16-9/h7-9H,1-6H2,(H2,12,13,14,15).
What are the key properties of 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136754606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).