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

C20H20Cl2N4O3S — CID 59519270

IUPAC2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(OCC4CCCO4)c(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C20H20Cl2N4O3S/c1-2-24-18(27)16-7-12-17(25-20(23)26-19(12)30-16)11-6-15(14(22)8-13(11)21)29-9-10-4-3-5-28-10/h6-8,10H,2-5,9H2,1H3,(H,24,27)(H2,23,25,26)
InChIKeyBLGQHNIOPCFBNH-UHFFFAOYSA-N
MW467.38 g/mol
LogP4.55
Rot. Bonds6

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

2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519270) has the molecular formula C20H20Cl2N4O3S and a molecular weight of 467.38 g/mol. Its IUPAC name is 2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519270
Molecular FormulaC20H20Cl2N4O3S
Molecular Weight467.38 g/mol
Exact Mass466.06
IUPAC Name2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(OCC4CCCO4)c(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C20H20Cl2N4O3S/c1-2-24-18(27)16-7-12-17(25-20(23)26-19(12)30-16)11-6-15(14(22)8-13(11)21)29-9-10-4-3-5-28-10/h6-8,10H,2-5,9H2,1H3,(H,24,27)(H2,23,25,26)
InChIKeyBLGQHNIOPCFBNH-UHFFFAOYSA-N
XLogP4.55
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118587713
2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 59519246
2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 70841492
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519348
2-amino-4-(5-butoxy-2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carbonitrile
CID 71027184
2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 70889040
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479827
2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine
CID 161039920

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 59519270) is 2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(-c3cc(OCC4CCCO4)c(Cl)cc3Cl)nc(N)nc2s1.
What is the InChIKey of 2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BLGQHNIOPCFBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O3S/c1-2-24-18(27)16-7-12-17(25-20(23)26-19(12)30-16)11-6-15(14(22)8-13(11)21)29-9-10-4-3-5-28-10/h6-8,10H,2-5,9H2,1H3,(H,24,27)(H2,23,25,26).
What are the key properties of 2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.38 g/mol, XLogP of 4.55, 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-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).