2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one

C11H14N2O2 — CID 107384722

IUPAC2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
SMILESCOCc1ncc2c(n1)CCCCC2=O
InChIInChI=1S/C11H14N2O2/c1-15-7-11-12-6-8-9(13-11)4-2-3-5-10(8)14/h6H,2-5,7H2,1H3
InChIKeyDEEQMNQPJZBTOW-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.53
Rot. Bonds2

About 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one

2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one (PubChem CID 107384722) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
PubChem CID107384722
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
SMILESCOCc1ncc2c(n1)CCCCC2=O
InChIInChI=1S/C11H14N2O2/c1-15-7-11-12-6-8-9(13-11)4-2-3-5-10(8)14/h6H,2-5,7H2,1H3
InChIKeyDEEQMNQPJZBTOW-UHFFFAOYSA-N
XLogP1.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one?
The IUPAC name of 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one (CID 107384722) is 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one.
What is the SMILES notation for 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one?
The canonical SMILES for 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one is COCc1ncc2c(n1)CCCCC2=O.
What is the InChIKey of 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one?
The InChIKey is DEEQMNQPJZBTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-7-11-12-6-8-9(13-11)4-2-3-5-10(8)14/h6H,2-5,7H2,1H3.
What are the key properties of 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one?
2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one has a molecular weight of 206.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one is sourced from PubChem (CID 107384722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).