N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine

C24H26N4S — CID 166431287

IUPACN-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C24H26N4S/c1-28(2)16-10-9-15-25-23-20-17-21(18-11-5-3-6-12-18)29-24(20)27-22(26-23)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3,(H,25,26,27)
InChIKeyJZCJEHCJPVFZEB-UHFFFAOYSA-N
MW402.57 g/mol
LogP5.78
Rot. Bonds8

About N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine

N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 166431287) has the molecular formula C24H26N4S and a molecular weight of 402.57 g/mol. Its IUPAC name is N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID166431287
Molecular FormulaC24H26N4S
Molecular Weight402.57 g/mol
Exact Mass402.19
IUPAC NameN-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C24H26N4S/c1-28(2)16-10-9-15-25-23-20-17-21(18-11-5-3-6-12-18)29-24(20)27-22(26-23)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3,(H,25,26,27)
InChIKeyJZCJEHCJPVFZEB-UHFFFAOYSA-N
XLogP5.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 26455462
5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide
CID 75399999
2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 93214406
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
6-methyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460517
N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
CID 156820936
N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965180
6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965174
1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 133415293
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
4-N-(2,6-difluorophenyl)-6-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4,6-diamine
CID 112880917

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (CID 166431287) is N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is CN(C)CCCCNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is JZCJEHCJPVFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4S/c1-28(2)16-10-9-15-25-23-20-17-21(18-11-5-3-6-12-18)29-24(20)27-22(26-23)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3,(H,25,26,27).
What are the key properties of N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 402.57 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 166431287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).