2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one

C14H12N2O — CID 83891684

IUPAC2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one
SMILESCc1ccc(-c2ncc3c(n2)C(=O)CC3)cc1
InChIInChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-15-8-11-6-7-12(17)13(11)16-14/h2-5,8H,6-7H2,1H3
InChIKeyUNQAAHJJKTXLMT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.58
Rot. Bonds1

About 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one

2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one (PubChem CID 83891684) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one
PubChem CID83891684
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one
SMILESCc1ccc(-c2ncc3c(n2)C(=O)CC3)cc1
InChIInChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-15-8-11-6-7-12(17)13(11)16-14/h2-5,8H,6-7H2,1H3
InChIKeyUNQAAHJJKTXLMT-UHFFFAOYSA-N
XLogP2.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline
CID 123894743
ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate
CID 59558433
N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide
CID 137182664
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline
CID 57251224
6-methyl-3-(4-methylphenyl)-1,2,4-triazine
CID 14241961
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424046
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
2-methoxy-6,7-dihydro-5H-quinazolin-8-one
CID 155777658
2-(6-methyl-1-oxidopyridin-1-ium-3-yl)-5,6-dihydropyrimido[4,5-f]quinazolin-8-amine
CID 54031145
4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
CID 143745777
6-methyl-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909217

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The IUPAC name of 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one (CID 83891684) is 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The canonical SMILES for 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one is Cc1ccc(-c2ncc3c(n2)C(=O)CC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The InChIKey is UNQAAHJJKTXLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-15-8-11-6-7-12(17)13(11)16-14/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one has a molecular weight of 224.26 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one is sourced from PubChem (CID 83891684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).