4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136957592

IUPAC4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC1CCCO1)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-2-14(7-9-4-3-5-16-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyQERQGDQZARKFEX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds4

About 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one

4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957592) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957592
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC1CCCO1)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-2-14(7-9-4-3-5-16-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyQERQGDQZARKFEX-UHFFFAOYSA-N
XLogP0.78
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136957592) is 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one is CCN(CC1CCCO1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QERQGDQZARKFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14(7-9-4-3-5-16-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).