5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one

C11H17N3O3 — CID 103241428

IUPAC5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCCN2CCCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-9-10(15)12-8-13-11(9)17-7-6-14-4-2-3-5-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyHTCRRBWCLBFGGU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.25
Rot. Bonds5

About 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one

5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 103241428) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID103241428
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCCN2CCCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-9-10(15)12-8-13-11(9)17-7-6-14-4-2-3-5-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyHTCRRBWCLBFGGU-UHFFFAOYSA-N
XLogP0.25
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
4-ethoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240575
5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
CID 103240686
5-methoxy-4-propoxy-1H-pyrimidin-6-one
CID 103240822
4-butoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240832
4-butan-2-yloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240856
4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241380
5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241406
4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241415
4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241431
4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241440
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 103241428) is 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is COc1c(OCCN2CCCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is HTCRRBWCLBFGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-9-10(15)12-8-13-11(9)17-7-6-14-4-2-3-5-14/h8H,2-7H2,1H3,(H,12,13,15).
What are the key properties of 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).