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

C17H15Cl2N5OS — CID 24738658

IUPAC5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C17H15Cl2N5OS/c1-21-15(25)14-12(20)11-13(7-2-5-9(18)10(19)6-7)23-17(22-8-3-4-8)24-16(11)26-14/h2,5-6,8H,3-4,20H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyJNNDAXZXDGOLSQ-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.18
Rot. Bonds4

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

5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24738658) has the molecular formula C17H15Cl2N5OS and a molecular weight of 408.31 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24738658
Molecular FormulaC17H15Cl2N5OS
Molecular Weight408.31 g/mol
Exact Mass407.04
IUPAC Name5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C17H15Cl2N5OS/c1-21-15(25)14-12(20)11-13(7-2-5-9(18)10(19)6-7)23-17(22-8-3-4-8)24-16(11)26-14/h2,5-6,8H,3-4,20H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyJNNDAXZXDGOLSQ-UHFFFAOYSA-N
XLogP4.18
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.18
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-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 24738658) is 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JNNDAXZXDGOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5OS/c1-21-15(25)14-12(20)11-13(7-2-5-9(18)10(19)6-7)23-17(22-8-3-4-8)24-16(11)26-14/h2,5-6,8H,3-4,20H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 408.31 g/mol, XLogP of 4.18, 4 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-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24738658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).