2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C23H23N3S — CID 91964637

IUPAC2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C23H23N3S/c1-14-10-11-15(2)19(12-14)24-22-21-16(3)17(4)27-23(21)26-20(25-22)13-18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,24,25,26)
InChIKeyRAYULMWKVWGDKW-UHFFFAOYSA-N
MW373.53 g/mol
LogP6.26
Rot. Bonds4

About 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964637) has the molecular formula C23H23N3S and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964637
Molecular FormulaC23H23N3S
Molecular Weight373.53 g/mol
Exact Mass373.16
IUPAC Name2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C23H23N3S/c1-14-10-11-15(2)19(12-14)24-22-21-16(3)17(4)27-23(21)26-20(25-22)13-18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,24,25,26)
InChIKeyRAYULMWKVWGDKW-UHFFFAOYSA-N
XLogP6.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.53
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964785
2-benzyl-N-(4-bromophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964603
2-benzyl-N-(5-chloro-2,4-dimethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4197473
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 91964658
2-[(10-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]-4-methylphenol
CID 91965912
2-benzyl-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 91964684
2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964687
4-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91964726
2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964678
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91964637) is 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1ccc(C)c(Nc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)c1.
What is the InChIKey of 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RAYULMWKVWGDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3S/c1-14-10-11-15(2)19(12-14)24-22-21-16(3)17(4)27-23(21)26-20(25-22)13-18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,24,25,26).
What are the key properties of 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 373.53 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).