4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136905802

IUPAC4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-2-9-8(3-4-16-9)6-12-10-5-11(15)14-7-13-10/h5,7-9H,2-4,6H2,1H3,(H2,12,13,14,15)
InChIKeyVCEUITJBCCXZJK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.00
Rot. Bonds4

About 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136905802) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136905802
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-2-9-8(3-4-16-9)6-12-10-5-11(15)14-7-13-10/h5,7-9H,2-4,6H2,1H3,(H2,12,13,14,15)
InChIKeyVCEUITJBCCXZJK-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136905802) is 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CCC1OCCC1CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is VCEUITJBCCXZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9-8(3-4-16-9)6-12-10-5-11(15)14-7-13-10/h5,7-9H,2-4,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136905802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).