[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

C20H19Cl2N5O2S — CID 24739128

IUPAC[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12
InChIInChI=1S/C20H19Cl2N5O2S/c21-12-4-1-10(9-13(12)22)16-14-15(23)17(19(28)27-5-7-29-8-6-27)30-18(14)26-20(25-16)24-11-2-3-11/h1,4,9,11H,2-3,5-8,23H2,(H,24,25,26)
InChIKeyUMWWRUVSUGEXGY-UHFFFAOYSA-N
MW464.38 g/mol
LogP4.29
Rot. Bonds4

About [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 24739128) has the molecular formula C20H19Cl2N5O2S and a molecular weight of 464.38 g/mol. Its IUPAC name is [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID24739128
Molecular FormulaC20H19Cl2N5O2S
Molecular Weight464.38 g/mol
Exact Mass463.06
IUPAC Name[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12
InChIInChI=1S/C20H19Cl2N5O2S/c21-12-4-1-10(9-13(12)22)16-14-15(23)17(19(28)27-5-7-29-8-6-27)30-18(14)26-20(25-16)24-11-2-3-11/h1,4,9,11H,2-3,5-8,23H2,(H,24,25,26)
InChIKeyUMWWRUVSUGEXGY-UHFFFAOYSA-N
XLogP4.29
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 24739128) is [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is Nc1c(C(=O)N2CCOCC2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12.
What is the InChIKey of [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is UMWWRUVSUGEXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2S/c21-12-4-1-10(9-13(12)22)16-14-15(23)17(19(28)27-5-7-29-8-6-27)30-18(14)26-20(25-16)24-11-2-3-11/h1,4,9,11H,2-3,5-8,23H2,(H,24,25,26).
What are the key properties of [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 464.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24739128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).