3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one

C11H17N3O2 — CID 63794736

IUPAC3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCNC1CCOCC1
InChIInChI=1S/C11H17N3O2/c15-11-1-4-12-9-14(11)6-5-13-10-2-7-16-8-3-10/h1,4,9-10,13H,2-3,5-8H2
InChIKeyYOUNUPMNCLMVET-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.01
Rot. Bonds4

About 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one

3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one (PubChem CID 63794736) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
PubChem CID63794736
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCNC1CCOCC1
InChIInChI=1S/C11H17N3O2/c15-11-1-4-12-9-14(11)6-5-13-10-2-7-16-8-3-10/h1,4,9-10,13H,2-3,5-8H2
InChIKeyYOUNUPMNCLMVET-UHFFFAOYSA-N
XLogP0.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one (CID 63794736) is 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one is O=c1ccncn1CCNC1CCOCC1.
What is the InChIKey of 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is YOUNUPMNCLMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11-1-4-12-9-14(11)6-5-13-10-2-7-16-8-3-10/h1,4,9-10,13H,2-3,5-8H2.
What are the key properties of 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one?
3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63794736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).