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

C10H15N3O2 — CID 105462842

IUPAC4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC2CCCN2)n1
InChIInChI=1S/C10H15N3O2/c1-15-10-6-9(14)12-8(13-10)5-7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyYDCDJBIRLRWFDD-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.07
Rot. Bonds3

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

4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105462842) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105462842
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC2CCCN2)n1
InChIInChI=1S/C10H15N3O2/c1-15-10-6-9(14)12-8(13-10)5-7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyYDCDJBIRLRWFDD-UHFFFAOYSA-N
XLogP0.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555529
2-(2-aminobutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555540
2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
CID 105440513
4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 105440518
2-(3-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
CID 105440520
4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105448883
4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 105448885
4-methoxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 105450686
4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105462840
4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105462841
4-methoxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105480516
4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105480522

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 105462842) is 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(CC2CCCN2)n1.
What is the InChIKey of 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YDCDJBIRLRWFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-10-6-9(14)12-8(13-10)5-7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105462842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).