propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

C23H28ClN5O3 — CID 159964674

IUPACpropan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCC(C)CN(C)C(=O)Cc1ccc(Cl)c(-c2cn3cc(NC(=O)OC(C)C)cnc3n2)c1
InChIInChI=1S/C23H28ClN5O3/c1-14(2)11-28(5)21(30)9-16-6-7-19(24)18(8-16)20-13-29-12-17(10-25-22(29)27-20)26-23(31)32-15(3)4/h6-8,10,12-15H,9,11H2,1-5H3,(H,26,31)
InChIKeyODTWUFCXCUHBRD-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.66
Rot. Bonds7

About propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (PubChem CID 159964674) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
PubChem CID159964674
Molecular FormulaC23H28ClN5O3
Molecular Weight457.96 g/mol
Exact Mass457.19
IUPAC Namepropan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCC(C)CN(C)C(=O)Cc1ccc(Cl)c(-c2cn3cc(NC(=O)OC(C)C)cnc3n2)c1
InChIInChI=1S/C23H28ClN5O3/c1-14(2)11-28(5)21(30)9-16-6-7-19(24)18(8-16)20-13-29-12-17(10-25-22(29)27-20)26-23(31)32-15(3)4/h6-8,10,12-15H,9,11H2,1-5H3,(H,26,31)
InChIKeyODTWUFCXCUHBRD-UHFFFAOYSA-N
XLogP4.66
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
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propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (CID 159964674) is propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is CC(C)CN(C)C(=O)Cc1ccc(Cl)c(-c2cn3cc(NC(=O)OC(C)C)cnc3n2)c1.
What is the InChIKey of propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The InChIKey is ODTWUFCXCUHBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3/c1-14(2)11-28(5)21(30)9-16-6-7-19(24)18(8-16)20-13-29-12-17(10-25-22(29)27-20)26-23(31)32-15(3)4/h6-8,10,12-15H,9,11H2,1-5H3,(H,26,31).
What are the key properties of propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate has a molecular weight of 457.96 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is sourced from PubChem (CID 159964674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).