4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one

C11H17N3O2 — CID 103241408

IUPAC4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
SMILESCN1CCCC1CCOc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-14-5-2-3-9(14)4-6-16-11-7-10(15)12-8-13-11/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyJFROAHAJTBCLCQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds4

About 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one

4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241408) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
PubChem CID103241408
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
SMILESCN1CCCC1CCOc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-14-5-2-3-9(14)4-6-16-11-7-10(15)12-8-13-11/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyJFROAHAJTBCLCQ-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241402
5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241406
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241410
4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241701
5-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792727
2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792728
2-ethyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792729
4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586288
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374
5-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 114676278
5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 114676279
5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 114676280

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one (CID 103241408) is 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one is CN1CCCC1CCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is JFROAHAJTBCLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-5-2-3-9(14)4-6-16-11-7-10(15)12-8-13-11/h7-9H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).