methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate

C22H20N2O2 — CID 142718711

IUPACmethyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)C1c1ccc(-c2ncc(C)cn2)cc1
InChIInChI=1S/C22H20N2O2/c1-14-12-23-21(24-13-14)17-10-8-16(9-11-17)19-18(20(19)22(25)26-2)15-6-4-3-5-7-15/h3-13,18-20H,1-2H3
InChIKeyBTMKKIAUQHNZNN-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.12
Rot. Bonds4

About methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate

methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate (PubChem CID 142718711) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
PubChem CID142718711
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Namemethyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)C1c1ccc(-c2ncc(C)cn2)cc1
InChIInChI=1S/C22H20N2O2/c1-14-12-23-21(24-13-14)17-10-8-16(9-11-17)19-18(20(19)22(25)26-2)15-6-4-3-5-7-15/h3-13,18-20H,1-2H3
InChIKeyBTMKKIAUQHNZNN-UHFFFAOYSA-N
XLogP4.12
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,3S)-N-hydroxy-1-methyl-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 127028836
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
dimethyl 2-(4-aminophenyl)-4-(4-methylphenyl)cyclobutane-1,3-dicarboxylate
CID 130368600
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
CID 6921319
[4-(5-methylpyrimidin-2-yl)phenyl] benzoate
CID 170244609
methyl (1R,2R,3R)-2-[4-(3,3-dimethylazetidin-1-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
CID 90198457
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
methyl (1R,2R,3R)-2-[4-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
CID 86721145
methyl (2S,3R,4S,5R)-4-benzoyl-5-(4-methylphenyl)-3-phenylpyrrolidine-2-carboxylate
CID 44597701
methyl (1S,2R,3S)-2-(3-benzylimidazol-4-yl)-3-phenylcyclopropane-1-carboxylate
CID 101210186
ethyl (1R,2R,3R)-2-(4-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 90209349

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate (CID 142718711) is methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate is COC(=O)C1C(c2ccccc2)C1c1ccc(-c2ncc(C)cn2)cc1.
What is the InChIKey of methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate?
The InChIKey is BTMKKIAUQHNZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-12-23-21(24-13-14)17-10-8-16(9-11-17)19-18(20(19)22(25)26-2)15-6-4-3-5-7-15/h3-13,18-20H,1-2H3.
What are the key properties of methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate?
methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 142718711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).