6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one

C16H14ClN3O — CID 165395830

IUPAC6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(-c3nc(Cl)nc4c3CCC4)cc2C1=O
InChIInChI=1S/C16H14ClN3O/c1-20-8-10-6-5-9(7-12(10)15(20)21)14-11-3-2-4-13(11)18-16(17)19-14/h5-7H,2-4,8H2,1H3
InChIKeyDJYCKIDVUUCKJJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.87
Rot. Bonds1

About 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one

6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one (PubChem CID 165395830) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
PubChem CID165395830
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(-c3nc(Cl)nc4c3CCC4)cc2C1=O
InChIInChI=1S/C16H14ClN3O/c1-20-8-10-6-5-9(7-12(10)15(20)21)14-11-3-2-4-13(11)18-16(17)19-14/h5-7H,2-4,8H2,1H3
InChIKeyDJYCKIDVUUCKJJ-UHFFFAOYSA-N
XLogP2.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one with MolForge

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Related Compounds

2-Amino-4-phenyl-8-pyrrolidin-1-ylmethylindeno(1,2-d)pyrimidin-5-one
CID 46863665
(4,6-Dimethylpyrimidin-2-yl)-[(1,3-dioxoisoindol-2-yl)methyl]cyanamide
CID 657790
2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl-5H-indeno(1,2-d)pyrimidin-5-one
CID 25242440
2-[3-[2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]isoindole-1,3-dione
CID 135260424
2-amino-4-phenyl-9-(pyrrolidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 46861769
2-amino-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
CID 46889043
2-amino-N-(2-(dimethylamino)ethyl)-N-methyl-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide
CID 46889171
2-amino-N-(2-(diethylamino)ethyl)-N-methyl-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide
CID 46889172
2-amino-N-(2-(diethylamino)ethyl)-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide
CID 46889173
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide
CID 46889205
2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
CID 46889229
2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 71458816

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one (CID 165395830) is 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one is CN1Cc2ccc(-c3nc(Cl)nc4c3CCC4)cc2C1=O.
What is the InChIKey of 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one?
The InChIKey is DJYCKIDVUUCKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20-8-10-6-5-9(7-12(10)15(20)21)14-11-3-2-4-13(11)18-16(17)19-14/h5-7H,2-4,8H2,1H3.
What are the key properties of 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one?
6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one has a molecular weight of 299.76 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 165395830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).