N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C19H18Cl2N4O2S — CID 11662075

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2ccnc(NCCO)n2)s1
InChIInChI=1S/C19H18Cl2N4O2S/c20-13-2-1-12(14(21)11-13)5-7-22-18(27)17-4-3-16(28-17)15-6-8-23-19(25-15)24-9-10-26/h1-4,6,8,11,26H,5,7,9-10H2,(H,22,27)(H,23,24,25)
InChIKeyGMCCXCJLENNETQ-UHFFFAOYSA-N
MW437.35 g/mol
LogP3.89
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 11662075) has the molecular formula C19H18Cl2N4O2S and a molecular weight of 437.35 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID11662075
Molecular FormulaC19H18Cl2N4O2S
Molecular Weight437.35 g/mol
Exact Mass436.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2ccnc(NCCO)n2)s1
InChIInChI=1S/C19H18Cl2N4O2S/c20-13-2-1-12(14(21)11-13)5-7-22-18(27)17-4-3-16(28-17)15-6-8-23-19(25-15)24-9-10-26/h1-4,6,8,11,26H,5,7,9-10H2,(H,22,27)(H,23,24,25)
InChIKeyGMCCXCJLENNETQ-UHFFFAOYSA-N
XLogP3.89
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1S)-2-Amino-1-(2,4-dichlorobenzyl)ethyl)-5-(2-(methylamino)pyrimidin-4-YL)thiophene-2-carboxamide
CID 16043304
PfGSK3/PfPK6-IN-2
CID 165437253
N-(4-chlorobenzyl)-2-{[(2-hydroxy-2-pyrimidin-2-ylethyl)(methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 10239304
N-(4-chlorobenzyl)-2-(((2-hydroxy-2-(pyrimidin-2-yl)ethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide
CID 10368624
N-(2,4-dichlorophenethyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11502369
N-(2,4-dichlorophenethyl)-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 11567357
N-((S)-3-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11575743
N-((R)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414422
N-((S)-1-(2,4-dichlorophenyl)-3-(dimethylamino)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414447
N-((S)-4-amino-1-(2,4-dichlorophenyl)butan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414470
N-((R)-1-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414530
N-(1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414579

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 11662075) is N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2ccnc(NCCO)n2)s1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is GMCCXCJLENNETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2S/c20-13-2-1-12(14(21)11-13)5-7-22-18(27)17-4-3-16(28-17)15-6-8-23-19(25-15)24-9-10-26/h1-4,6,8,11,26H,5,7,9-10H2,(H,22,27)(H,23,24,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 437.35 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11662075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).