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

C22H21N3OS — CID 91965004

IUPAC2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1
InChIInChI=1S/C22H21N3OS/c1-15-12-19-21(23-14-17-8-10-18(26-2)11-9-17)24-20(25-22(19)27-15)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,24,25)
InChIKeyQQPYRLMBNNAGLR-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.21
Rot. Bonds6

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

2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965004) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965004
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1
InChIInChI=1S/C22H21N3OS/c1-15-12-19-21(23-14-17-8-10-18(26-2)11-9-17)24-20(25-22(19)27-15)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,24,25)
InChIKeyQQPYRLMBNNAGLR-UHFFFAOYSA-N
XLogP5.21
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 ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63619091
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965007
2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964996
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964928
2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 91965057
2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964960
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
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965174

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 91965004) is 2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1.
What is the InChIKey of 2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QQPYRLMBNNAGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-15-12-19-21(23-14-17-8-10-18(26-2)11-9-17)24-20(25-22(19)27-15)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 375.50 g/mol, XLogP of 5.21, 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-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).