5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide

C22H17Cl2N5OS — CID 24739130

IUPAC5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12
InChIInChI=1S/C22H17Cl2N5OS/c23-14-9-6-11(10-15(14)24)18-16-17(25)19(20(30)26-12-4-2-1-3-5-12)31-21(16)29-22(28-18)27-13-7-8-13/h1-6,9-10,13H,7-8,25H2,(H,26,30)(H,27,28,29)
InChIKeyBYOMQABOGGTXCM-UHFFFAOYSA-N
MW470.39 g/mol
LogP6.07
Rot. Bonds5

About 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24739130) has the molecular formula C22H17Cl2N5OS and a molecular weight of 470.39 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24739130
Molecular FormulaC22H17Cl2N5OS
Molecular Weight470.39 g/mol
Exact Mass469.05
IUPAC Name5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12
InChIInChI=1S/C22H17Cl2N5OS/c23-14-9-6-11(10-15(14)24)18-16-17(25)19(20(30)26-12-4-2-1-3-5-12)31-21(16)29-22(28-18)27-13-7-8-13/h1-6,9-10,13H,7-8,25H2,(H,26,30)(H,27,28,29)
InChIKeyBYOMQABOGGTXCM-UHFFFAOYSA-N
XLogP6.07
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.39
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 24739130) is 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide is Nc1c(C(=O)Nc2ccccc2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BYOMQABOGGTXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5OS/c23-14-9-6-11(10-15(14)24)18-16-17(25)19(20(30)26-12-4-2-1-3-5-12)31-21(16)29-22(28-18)27-13-7-8-13/h1-6,9-10,13H,7-8,25H2,(H,26,30)(H,27,28,29).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 470.39 g/mol, XLogP of 6.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24739130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).