2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine

C21H26ClN5O4S — CID 135281222

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C(C)C)CC4)nc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O4S/c1-14(2)32(28,29)27-9-7-25(8-10-27)20-5-6-26-13-17(23-21(26)24-20)15-11-16(22)19(31-4)12-18(15)30-3/h5-6,11-14H,7-10H2,1-4H3
InChIKeyUDZZFEHFSUMLJL-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.93
Rot. Bonds6

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine

2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine (PubChem CID 135281222) has the molecular formula C21H26ClN5O4S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
PubChem CID135281222
Molecular FormulaC21H26ClN5O4S
Molecular Weight479.99 g/mol
Exact Mass479.14
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C(C)C)CC4)nc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O4S/c1-14(2)32(28,29)27-9-7-25(8-10-27)20-5-6-26-13-17(23-21(26)24-20)15-11-16(22)19(31-4)12-18(15)30-3/h5-6,11-14H,7-10H2,1-4H3
InChIKeyUDZZFEHFSUMLJL-UHFFFAOYSA-N
XLogP2.93
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine (CID 135281222) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine is COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C(C)C)CC4)nc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is UDZZFEHFSUMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O4S/c1-14(2)32(28,29)27-9-7-25(8-10-27)20-5-6-26-13-17(23-21(26)24-20)15-11-16(22)19(31-4)12-18(15)30-3/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 479.99 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 135281222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).