4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine

C20H18N4S — CID 18383095

IUPAC4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C20H18N4S/c1-24(2)16-10-8-15(9-11-16)23-20-19-17(21-13-22-20)12-18(25-19)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22,23)
InChIKeyASLAQNLSYGJKNM-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.17
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 18383095) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
PubChem CID18383095
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C20H18N4S/c1-24(2)16-10-8-15(9-11-16)23-20-19-17(21-13-22-20)12-18(25-19)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22,23)
InChIKeyASLAQNLSYGJKNM-UHFFFAOYSA-N
XLogP5.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine (CID 18383095) is 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine is CN(C)c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is ASLAQNLSYGJKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-24(2)16-10-8-15(9-11-16)23-20-19-17(21-13-22-20)12-18(25-19)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22,23).
What are the key properties of 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 346.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 18383095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).