benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate

C17H17N3O2 — CID 71451114

IUPACbenzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate
SMILESCc1cc2nc(C)c(C(=O)OCc3ccccc3)n2c(C)n1
InChIInChI=1S/C17H17N3O2/c1-11-9-15-19-12(2)16(20(15)13(3)18-11)17(21)22-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyVGEYXCBGPINBNZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.01
Rot. Bonds3

About benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate

benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate (PubChem CID 71451114) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate
PubChem CID71451114
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namebenzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate
SMILESCc1cc2nc(C)c(C(=O)OCc3ccccc3)n2c(C)n1
InChIInChI=1S/C17H17N3O2/c1-11-9-15-19-12(2)16(20(15)13(3)18-11)17(21)22-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyVGEYXCBGPINBNZ-UHFFFAOYSA-N
XLogP3.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-methylquinoline-4-carboxylate
CID 804130
dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
CID 170190396
benzyl 3,5-dimethylbenzoate
CID 54359872
benzyl benzoate
CID 2345
benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate
CID 166831637
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
dibenzyl 4,5-dimethylimidazole-1,2-dicarboxylate
CID 134511478
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
benzyl 3-aminobenzoate;methanol
CID 142867139
dibenzyl 5-methyltriazole-2,4-dicarboxylate
CID 134511510

Frequently Asked Questions

What is the IUPAC name of benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate?
The IUPAC name of benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate (CID 71451114) is benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate.
What is the SMILES notation for benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate?
The canonical SMILES for benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate is Cc1cc2nc(C)c(C(=O)OCc3ccccc3)n2c(C)n1.
What is the InChIKey of benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate?
The InChIKey is VGEYXCBGPINBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-9-15-19-12(2)16(20(15)13(3)18-11)17(21)22-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3.
What are the key properties of benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate?
benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate is sourced from PubChem (CID 71451114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).