5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C24H25N3S — CID 28695543

IUPAC5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1ncnc2sc(C)c(-c3ccc(C)c(C)c3)c12
InChIInChI=1S/C24H25N3S/c1-6-18-9-7-8-15(3)22(18)27-23-21-20(17(5)28-24(21)26-13-25-23)19-11-10-14(2)16(4)12-19/h7-13H,6H2,1-5H3,(H,25,26,27)
InChIKeyRSZRTFYYHJIIOA-UHFFFAOYSA-N
MW387.55 g/mol
LogP6.90
Rot. Bonds4

About 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 28695543) has the molecular formula C24H25N3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID28695543
Molecular FormulaC24H25N3S
Molecular Weight387.55 g/mol
Exact Mass387.18
IUPAC Name5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1ncnc2sc(C)c(-c3ccc(C)c(C)c3)c12
InChIInChI=1S/C24H25N3S/c1-6-18-9-7-8-15(3)22(18)27-23-21-20(17(5)28-24(21)26-13-25-23)19-11-10-14(2)16(4)12-19/h7-13H,6H2,1-5H3,(H,25,26,27)
InChIKeyRSZRTFYYHJIIOA-UHFFFAOYSA-N
XLogP6.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695534
N-(2,3-dimethylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009603
5-(3,4-dimethylphenyl)-6-methyl-N-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505317
4-N-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28850735
N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28850740
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011540
3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28842493
5-(3,4-dimethylphenyl)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012118
propyl 4-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21009569
N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009720
N-(2,5-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009656
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010016

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 28695543) is 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cccc(C)c1Nc1ncnc2sc(C)c(-c3ccc(C)c(C)c3)c12.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RSZRTFYYHJIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3S/c1-6-18-9-7-8-15(3)22(18)27-23-21-20(17(5)28-24(21)26-13-25-23)19-11-10-14(2)16(4)12-19/h7-13H,6H2,1-5H3,(H,25,26,27).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 387.55 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28695543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).