4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine

C19H20Cl2N4OS — CID 24967699

IUPAC4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCN1CCCC1CCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2sccc12
InChIInChI=1S/C19H20Cl2N4OS/c1-25-6-2-3-12(25)4-7-26-15-10-11(20)9-14(21)16(15)17-13-5-8-27-18(13)24-19(22)23-17/h5,8-10,12H,2-4,6-7H2,1H3,(H2,22,23,24)
InChIKeyVTSLTPWAWKDIJJ-UHFFFAOYSA-N
MW423.37 g/mol
LogP5.11
Rot. Bonds5

About 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine

4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 24967699) has the molecular formula C19H20Cl2N4OS and a molecular weight of 423.37 g/mol. Its IUPAC name is 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID24967699
Molecular FormulaC19H20Cl2N4OS
Molecular Weight423.37 g/mol
Exact Mass422.07
IUPAC Name4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCN1CCCC1CCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2sccc12
InChIInChI=1S/C19H20Cl2N4OS/c1-25-6-2-3-12(25)4-7-26-15-10-11(20)9-14(21)16(15)17-13-5-8-27-18(13)24-19(22)23-17/h5,8-10,12H,2-4,6-7H2,1H3,(H2,22,23,24)
InChIKeyVTSLTPWAWKDIJJ-UHFFFAOYSA-N
XLogP5.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.37
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine (CID 24967699) is 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine is CN1CCCC1CCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2sccc12.
What is the InChIKey of 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is VTSLTPWAWKDIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4OS/c1-25-6-2-3-12(25)4-7-26-15-10-11(20)9-14(21)16(15)17-13-5-8-27-18(13)24-19(22)23-17/h5,8-10,12H,2-4,6-7H2,1H3,(H2,22,23,24).
What are the key properties of 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine?
4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 423.37 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 24967699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).