6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide

C20H24Cl2N6O3S — CID 143255780

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)N(C)C[C@@H](C)NS(C)(=O)=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H24Cl2N6O3S/c1-11(26-32(4,30)31)9-27(3)19(29)17-10-28-18(14-6-5-13(21)7-16(14)22)15(8-23)12(2)24-20(28)25-17/h5-7,10-11,26H,8-9,23H2,1-4H3/t11-/m1/s1
InChIKeyDMTSCOLPVDAFHQ-LLVKDONJSA-N
MW499.42 g/mol
LogP2.48
Rot. Bonds7

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 143255780) has the molecular formula C20H24Cl2N6O3S and a molecular weight of 499.42 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID143255780
Molecular FormulaC20H24Cl2N6O3S
Molecular Weight499.42 g/mol
Exact Mass498.10
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)N(C)C[C@@H](C)NS(C)(=O)=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H24Cl2N6O3S/c1-11(26-32(4,30)31)9-27(3)19(29)17-10-28-18(14-6-5-13(21)7-16(14)22)15(8-23)12(2)24-20(28)25-17/h5-7,10-11,26H,8-9,23H2,1-4H3/t11-/m1/s1
InChIKeyDMTSCOLPVDAFHQ-LLVKDONJSA-N
XLogP2.48
TPSA122.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,N-diethyl-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900261
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 11508829
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-N,7-dimethyl-N-propylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 143255753
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899940
5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 88961022
4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid
CID 46900422
6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 143255699
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-amine
CID 143255766
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane
CID 143255719
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 143255709
1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine
CID 143255801
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 143255802

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 143255780) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)N(C)C[C@@H](C)NS(C)(=O)=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is DMTSCOLPVDAFHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C20H24Cl2N6O3S/c1-11(26-32(4,30)31)9-27(3)19(29)17-10-28-18(14-6-5-13(21)7-16(14)22)15(8-23)12(2)24-20(28)25-17/h5-7,10-11,26H,8-9,23H2,1-4H3/t11-/m1/s1.
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 499.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 143255780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).