2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C22H21N3OS — CID 91964928

IUPAC2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1
InChIInChI=1S/C22H21N3OS/c1-3-26-18-11-9-17(10-12-18)23-21-19-13-15(2)27-22(19)25-20(24-21)14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,23,24,25)
InChIKeyBKWKAPAHJOBXFJ-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.73
Rot. Bonds6

About 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964928) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964928
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1
InChIInChI=1S/C22H21N3OS/c1-3-26-18-11-9-17(10-12-18)23-21-19-13-15(2)27-22(19)25-20(24-21)14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,23,24,25)
InChIKeyBKWKAPAHJOBXFJ-UHFFFAOYSA-N
XLogP5.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91964940
2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964960
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
2-benzyl-N-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964737
4-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 91964744
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964996
[2-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63619091
2-chloro-N-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321082
2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965023
N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63617005
6-[(2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 91965084

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 91964928) is 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCOc1ccc(Nc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1.
What is the InChIKey of 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BKWKAPAHJOBXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-3-26-18-11-9-17(10-12-18)23-21-19-13-15(2)27-22(19)25-20(24-21)14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 375.50 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).