methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate

C16H13ClN4O3 — CID 89046690

IUPACmethyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate
SMILESCOC(=O)Cc1c(Cl)nc(Cc2ccc(N=O)cc2)n2ccnc12
InChIInChI=1S/C16H13ClN4O3/c1-24-14(22)9-12-15(17)19-13(21-7-6-18-16(12)21)8-10-2-4-11(20-23)5-3-10/h2-7H,8-9H2,1H3
InChIKeySEDSVGFRJNKJJK-UHFFFAOYSA-N
MW344.76 g/mol
LogP3.09
Rot. Bonds5

About methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate

methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate (PubChem CID 89046690) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate
PubChem CID89046690
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Namemethyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate
SMILESCOC(=O)Cc1c(Cl)nc(Cc2ccc(N=O)cc2)n2ccnc12
InChIInChI=1S/C16H13ClN4O3/c1-24-14(22)9-12-15(17)19-13(21-7-6-18-16(12)21)8-10-2-4-11(20-23)5-3-10/h2-7H,8-9H2,1H3
InChIKeySEDSVGFRJNKJJK-UHFFFAOYSA-N
XLogP3.09
TPSA85.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate?
The IUPAC name of methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate (CID 89046690) is methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate.
What is the SMILES notation for methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate?
The canonical SMILES for methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate is COC(=O)Cc1c(Cl)nc(Cc2ccc(N=O)cc2)n2ccnc12.
What is the InChIKey of methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate?
The InChIKey is SEDSVGFRJNKJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c1-24-14(22)9-12-15(17)19-13(21-7-6-18-16(12)21)8-10-2-4-11(20-23)5-3-10/h2-7H,8-9H2,1H3.
What are the key properties of methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate?
methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate has a molecular weight of 344.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-chloro-5-[(4-nitrosophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate is sourced from PubChem (CID 89046690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).