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

C19H21Cl2N5O2S — CID 25210274

IUPAC2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(OCCN(C)C)c(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C19H21Cl2N5O2S/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/h7-9H,4-6H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyFFCLCTHAQCJCLU-UHFFFAOYSA-N
MW454.38 g/mol
LogP3.94
Rot. Bonds7

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

2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 25210274) has the molecular formula C19H21Cl2N5O2S and a molecular weight of 454.38 g/mol. Its IUPAC name is 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID25210274
Molecular FormulaC19H21Cl2N5O2S
Molecular Weight454.38 g/mol
Exact Mass453.08
IUPAC Name2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(OCCN(C)C)c(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C19H21Cl2N5O2S/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/h7-9H,4-6H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyFFCLCTHAQCJCLU-UHFFFAOYSA-N
XLogP3.94
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 25210274) is 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(-c3cc(OCCN(C)C)c(Cl)cc3Cl)nc(N)nc2s1.
What is the InChIKey of 2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FFCLCTHAQCJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2S/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/h7-9H,4-6H2,1-3H3,(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-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 454.38 g/mol, XLogP of 3.94, 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-ethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 25210274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).