1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one

C17H16Cl2N4OS — CID 59647170

IUPAC1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
SMILESCCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)CC)sc2n1
InChIInChI=1S/C17H16Cl2N4OS/c1-3-11(24)15-13(20)12-14(8-5-6-9(18)10(19)7-8)22-17(21-4-2)23-16(12)25-15/h5-7H,3-4,20H2,1-2H3,(H,21,22,23)
InChIKeyNYWCKPHOYPWBKZ-UHFFFAOYSA-N
MW395.32 g/mol
LogP5.27
Rot. Bonds5

About 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one

1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 59647170) has the molecular formula C17H16Cl2N4OS and a molecular weight of 395.32 g/mol. Its IUPAC name is 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID59647170
Molecular FormulaC17H16Cl2N4OS
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
SMILESCCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)CC)sc2n1
InChIInChI=1S/C17H16Cl2N4OS/c1-3-11(24)15-13(20)12-14(8-5-6-9(18)10(19)7-8)22-17(21-4-2)23-16(12)25-15/h5-7H,3-4,20H2,1-2H3,(H,21,22,23)
InChIKeyNYWCKPHOYPWBKZ-UHFFFAOYSA-N
XLogP5.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.32
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one (CID 59647170) is 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one is CCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)CC)sc2n1.
What is the InChIKey of 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is NYWCKPHOYPWBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4OS/c1-3-11(24)15-13(20)12-14(8-5-6-9(18)10(19)7-8)22-17(21-4-2)23-16(12)25-15/h5-7H,3-4,20H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one?
1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 395.32 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 59647170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).