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

C12H19N3O3 — CID 103241406

IUPAC5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCCC2CCCN2C)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-15-6-3-4-9(15)5-7-18-12-10(17-2)11(16)13-8-14-12/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyUZTLZRCWGAZCMS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.64
Rot. Bonds5

About 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one

5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241406) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
PubChem CID103241406
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCCC2CCCN2C)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-15-6-3-4-9(15)5-7-18-12-10(17-2)11(16)13-8-14-12/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyUZTLZRCWGAZCMS-UHFFFAOYSA-N
XLogP0.64
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 91021757
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241408
5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241428
5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
5-methoxy-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604866
5-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792727
5-methoxy-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586291
5-methoxy-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586420
4-(2-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586601
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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one (CID 103241406) is 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one is COc1c(OCCC2CCCN2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is UZTLZRCWGAZCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15-6-3-4-9(15)5-7-18-12-10(17-2)11(16)13-8-14-12/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.64, 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-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).