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

C23H23N3OS — CID 91964672

IUPAC2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C23H23N3OS/c1-15-16(2)28-23-21(15)22(24-14-18-9-11-19(27-3)12-10-18)25-20(26-23)13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,24,25,26)
InChIKeyLGSOKTQZMBWZEB-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.52
Rot. Bonds6

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

2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964672) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964672
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C23H23N3OS/c1-15-16(2)28-23-21(15)22(24-14-18-9-11-19(27-3)12-10-18)25-20(26-23)13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,24,25,26)
InChIKeyLGSOKTQZMBWZEB-UHFFFAOYSA-N
XLogP5.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964678
methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 4549818
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 126537715
2-benzyl-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 91964684
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 91964658
4-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91964726
6-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 91964727
2-benzyl-N-(5-chloro-2,4-dimethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4197473

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91964672) is 2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)cc1.
What is the InChIKey of 2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LGSOKTQZMBWZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-15-16(2)28-23-21(15)22(24-14-18-9-11-19(27-3)12-10-18)25-20(26-23)13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,24,25,26).
What are the key properties of 2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 389.52 g/mol, XLogP of 5.52, 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]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).