2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide

C19H23Cl2N5O2S — CID 70889040

IUPAC2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)C1Cc2c(nc(N)nc2-c2cc(OCCN(C)C)c(Cl)cc2Cl)S1
InChIInChI=1S/C19H23Cl2N5O2S/c1-4-23-17(27)15-8-11-16(24-19(22)25-18(11)29-15)10-7-14(13(21)9-12(10)20)28-6-5-26(2)3/h7,9,15H,4-6,8H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyOLXNIGFBJWDJLN-UHFFFAOYSA-N
MW456.40 g/mol
LogP3.13
Rot. Bonds7

About 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 70889040) has the molecular formula C19H23Cl2N5O2S and a molecular weight of 456.40 g/mol. Its IUPAC name is 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID70889040
Molecular FormulaC19H23Cl2N5O2S
Molecular Weight456.40 g/mol
Exact Mass455.09
IUPAC Name2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)C1Cc2c(nc(N)nc2-c2cc(OCCN(C)C)c(Cl)cc2Cl)S1
InChIInChI=1S/C19H23Cl2N5O2S/c1-4-23-17(27)15-8-11-16(24-19(22)25-18(11)29-15)10-7-14(13(21)9-12(10)20)28-6-5-26(2)3/h7,9,15H,4-6,8H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyOLXNIGFBJWDJLN-UHFFFAOYSA-N
XLogP3.13
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine
CID 118587850
2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 70841492
2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 59519270
2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11641062
2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 59519264
4-[2,4-dichloro-5-[2-[ethyl(methyl)amino]ethoxy]phenyl]-6-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-2-amine;ethane
CID 143167660
2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141177234
2-amino-4-(5-butoxy-2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carbonitrile
CID 71027184
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
CID 86964022
N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide
CID 167979688
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
4-[2,4-dichloro-5-(3,3,3-trifluoropropoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 69166010

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide (CID 70889040) is 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)C1Cc2c(nc(N)nc2-c2cc(OCCN(C)C)c(Cl)cc2Cl)S1.
What is the InChIKey of 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OLXNIGFBJWDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O2S/c1-4-23-17(27)15-8-11-16(24-19(22)25-18(11)29-15)10-7-14(13(21)9-12(10)20)28-6-5-26(2)3/h7,9,15H,4-6,8H2,1-3H3,(H,23,27)(H2,22,24,25).
What are the key properties of 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 456.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 70889040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).