2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C19H21Cl2N5O2S — CID 70841492

IUPAC2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)CCOc1cc(-c2nc(N)nc3sc(C(N)=O)cc23)c(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N5O2S/c1-3-26(4-2)5-6-28-14-7-10(12(20)9-13(14)21)16-11-8-15(17(22)27)29-18(11)25-19(23)24-16/h7-9H,3-6H2,1-2H3,(H2,22,27)(H2,23,24,25)
InChIKeyKKVOJKUSXTZGBX-UHFFFAOYSA-N
MW454.38 g/mol
LogP4.07
Rot. Bonds8

About 2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 70841492) 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-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID70841492
Molecular FormulaC19H21Cl2N5O2S
Molecular Weight454.38 g/mol
Exact Mass453.08
IUPAC Name2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)CCOc1cc(-c2nc(N)nc3sc(C(N)=O)cc23)c(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N5O2S/c1-3-26(4-2)5-6-28-14-7-10(12(20)9-13(14)21)16-11-8-15(17(22)27)29-18(11)25-19(23)24-16/h7-9H,3-6H2,1-2H3,(H2,22,27)(H2,23,24,25)
InChIKeyKKVOJKUSXTZGBX-UHFFFAOYSA-N
XLogP4.07
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 54.07
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-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 70841492) is 2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)CCOc1cc(-c2nc(N)nc3sc(C(N)=O)cc23)c(Cl)cc1Cl.
What is the InChIKey of 2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KKVOJKUSXTZGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2S/c1-3-26(4-2)5-6-28-14-7-10(12(20)9-13(14)21)16-11-8-15(17(22)27)29-18(11)25-19(23)24-16/h7-9H,3-6H2,1-2H3,(H2,22,27)(H2,23,24,25).
What are the key properties of 2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 454.38 g/mol, XLogP of 4.07, 8 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-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 70841492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).