1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone

C10H12N2O2 — CID 105446012

IUPAC1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone
SMILESCOc1nc(C(C)=O)nc2c1CCC2
InChIInChI=1S/C10H12N2O2/c1-6(13)9-11-8-5-3-4-7(8)10(12-9)14-2/h3-5H2,1-2H3
InChIKeyVRCAWUUATGPXSO-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.18
Rot. Bonds2

About 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone

1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone (PubChem CID 105446012) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone
PubChem CID105446012
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone
SMILESCOc1nc(C(C)=O)nc2c1CCC2
InChIInChI=1S/C10H12N2O2/c1-6(13)9-11-8-5-3-4-7(8)10(12-9)14-2/h3-5H2,1-2H3
InChIKeyVRCAWUUATGPXSO-UHFFFAOYSA-N
XLogP1.18
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-Difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine
CID 156555746
2-methyl-4-(2,2,2-trifluoroethoxy)-5H,6H,7H-cyclopenta[d]pyrimidine
CID 126954711
4-(2,2-difluoroethoxy)-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine
CID 126954712
4-Ethyl-2,6-dimethoxy-5-propan-2-ylpyrimidine
CID 10656072
5-Butyl-4-ethoxy-2,6-dimethylpyrimidine
CID 15425429
4-Methoxy-6,7-dihydro-5h-cyclopenta[d]pyrimidin-2-amine
CID 230744
4-Methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopentapyrimidine
CID 12073753
4-ethoxy-6,7-dihydro-5H-cyclopentapyrimidin-2-ylamine
CID 12290586
2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 12933869
4-Methoxy-2-methylthio-6,7-dihydro-5H-cyclopentapyrimidine
CID 19353471
6,7-dihydro-2-isothiocyanato-4-methoxy-5H-cyclopentapyrimidine
CID 20532140
2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66709560

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone (CID 105446012) is 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone is COc1nc(C(C)=O)nc2c1CCC2.
What is the InChIKey of 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone?
The InChIKey is VRCAWUUATGPXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6(13)9-11-8-5-3-4-7(8)10(12-9)14-2/h3-5H2,1-2H3.
What are the key properties of 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone?
1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone has a molecular weight of 192.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 105446012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).