2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine

C14H11ClN2 — CID 146999137

IUPAC2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine
SMILESCc1ccccc1C1=Cc2nc(Cl)ncc2C1
InChIInChI=1S/C14H11ClN2/c1-9-4-2-3-5-12(9)10-6-11-8-16-14(15)17-13(11)7-10/h2-5,7-8H,6H2,1H3
InChIKeyARRRVGLYYRHJMV-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.54
Rot. Bonds1

About 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine

2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine (PubChem CID 146999137) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine
PubChem CID146999137
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine
SMILESCc1ccccc1C1=Cc2nc(Cl)ncc2C1
InChIInChI=1S/C14H11ClN2/c1-9-4-2-3-5-12(9)10-6-11-8-16-14(15)17-13(11)7-10/h2-5,7-8H,6H2,1H3
InChIKeyARRRVGLYYRHJMV-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine
CID 157444199
6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine
CID 159000817
2,4-bis(2-methylphenyl)-1H-indene
CID 139712954
2-chloro-5-(2-methylphenyl)-1H-imidazole
CID 105446616
2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine
CID 119091043
2-chloro-8-methylquinazoline
CID 53416811
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
5-bromo-2-(2-methylphenyl)-1H-imidazole
CID 30032976
5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
5-chloro-7-fluoro-3-(2-methylphenyl)-4H-naphthalen-1-one
CID 154933118
4-(2-methylphenyl)-2-phenyl-1H-indene
CID 87905958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine (CID 146999137) is 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine is Cc1ccccc1C1=Cc2nc(Cl)ncc2C1.
What is the InChIKey of 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine?
The InChIKey is ARRRVGLYYRHJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-9-4-2-3-5-12(9)10-6-11-8-16-14(15)17-13(11)7-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine?
2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine has a molecular weight of 242.71 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylphenyl)-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 146999137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).