4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine

C14H11ClN2 — CID 91323157

IUPAC4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine
SMILESCc1ccc2nc(-c3ccccc3)[nH]c(Cl)c1-2
InChIInChI=1S/C14H11ClN2/c1-9-7-8-11-12(9)13(15)17-14(16-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)
InChIKeyOZCDDQSZEFVVKK-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.14
Rot. Bonds1

About 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine

4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine (PubChem CID 91323157) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine
PubChem CID91323157
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine
SMILESCc1ccc2nc(-c3ccccc3)[nH]c(Cl)c1-2
InChIInChI=1S/C14H11ClN2/c1-9-7-8-11-12(9)13(15)17-14(16-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)
InChIKeyOZCDDQSZEFVVKK-UHFFFAOYSA-N
XLogP4.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-propan-2-ylmethanimine
CID 1490692
methyl 5-chloro-2-phenyl-1H-imidazole-4-carboxylate
CID 69111578
6,9-dimethyl-2,5-diphenyl-3H-1,3,4-benzotriazepine
CID 135426031
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole
CID 150866167
1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine
CID 1490694
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol
CID 15067837
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile
CID 57149183
4-(2,6-dimethylphenyl)-2-phenylpyrimidine
CID 151282962
ethyl 2-chloro-4-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10519135

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine (CID 91323157) is 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine is Cc1ccc2nc(-c3ccccc3)[nH]c(Cl)c1-2.
What is the InChIKey of 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine?
The InChIKey is OZCDDQSZEFVVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-9-7-8-11-12(9)13(15)17-14(16-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17).
What are the key properties of 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine?
4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine has a molecular weight of 242.71 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 91323157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).