3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C9H12N2O2 — CID 130605363

IUPAC3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCOCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H12N2O2/c1-13-6-11-5-10-8-4-2-3-7(8)9(11)12/h5H,2-4,6H2,1H3
InChIKeyKSVWZCTYXNAGRF-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.34
Rot. Bonds2

About 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 130605363) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID130605363
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCOCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H12N2O2/c1-13-6-11-5-10-8-4-2-3-7(8)9(11)12/h5H,2-4,6H2,1H3
InChIKeyKSVWZCTYXNAGRF-UHFFFAOYSA-N
XLogP0.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyrimidinol, 5-butyl-6-methyl-
CID 135704114
6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
CID 135431340
3-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)propanamide
CID 132306525
trifluoro-[(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]boranuide
CID 133676857
2-[diphosphanyl(phosphanyl)phosphanyl]-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 60053303
1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 141437424
Azanium;3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;formate
CID 159835751
3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99824666
3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 126997467
3-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130622029
3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130710730
2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 130744034

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 130605363) is 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is COCn1cnc2c(c1=O)CCC2.
What is the InChIKey of 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is KSVWZCTYXNAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-6-11-5-10-8-4-2-3-7(8)9(11)12/h5H,2-4,6H2,1H3.
What are the key properties of 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 130605363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).