2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

C21H17Cl2N5O2S — CID 59519264

IUPAC2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(OCc4ccccn4)c(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C21H17Cl2N5O2S/c1-2-25-19(29)17-8-13-18(27-21(24)28-20(13)31-17)12-7-16(15(23)9-14(12)22)30-10-11-5-3-4-6-26-11/h3-9H,2,10H2,1H3,(H,25,29)(H2,24,27,28)
InChIKeyZSPYFKDJTUEFCM-UHFFFAOYSA-N
MW474.37 g/mol
LogP4.97
Rot. Bonds6

About 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519264) has the molecular formula C21H17Cl2N5O2S and a molecular weight of 474.37 g/mol. Its IUPAC name is 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519264
Molecular FormulaC21H17Cl2N5O2S
Molecular Weight474.37 g/mol
Exact Mass473.05
IUPAC Name2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(OCc4ccccn4)c(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C21H17Cl2N5O2S/c1-2-25-19(29)17-8-13-18(27-21(24)28-20(13)31-17)12-7-16(15(23)9-14(12)22)30-10-11-5-3-4-6-26-11/h3-9H,2,10H2,1H3,(H,25,29)(H2,24,27,28)
InChIKeyZSPYFKDJTUEFCM-UHFFFAOYSA-N
XLogP4.97
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(2,6-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11359320
2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 147840934
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-(4,7-dichloro-3-hydroxycyclohepta-1,3,6-trien-1-yl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 143282507
2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 59519246
2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 143009781
2-amino-4-(2,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519322
2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11359791
2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 143267005
2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11176281
2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11256775
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide
CID 14116928

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 59519264) is 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(-c3cc(OCc4ccccn4)c(Cl)cc3Cl)nc(N)nc2s1.
What is the InChIKey of 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZSPYFKDJTUEFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2S/c1-2-25-19(29)17-8-13-18(27-21(24)28-20(13)31-17)12-7-16(15(23)9-14(12)22)30-10-11-5-3-4-6-26-11/h3-9H,2,10H2,1H3,(H,25,29)(H2,24,27,28).
What are the key properties of 2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 4.97, 6 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-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).