N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine

C25H28N4OS — CID 126537715

IUPACN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CNc2nc(CNC(C)c3ccccc3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C25H28N4OS/c1-16-18(3)31-25-23(16)24(27-14-19-9-8-12-21(13-19)30-4)28-22(29-25)15-26-17(2)20-10-6-5-7-11-20/h5-13,17,26H,14-15H2,1-4H3,(H,27,28,29)
InChIKeyAHDZHOUDVURIEL-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.78
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 126537715) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID126537715
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CNc2nc(CNC(C)c3ccccc3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C25H28N4OS/c1-16-18(3)31-25-23(16)24(27-14-19-9-8-12-21(13-19)30-4)28-22(29-25)15-26-17(2)20-10-6-5-7-11-20/h5-13,17,26H,14-15H2,1-4H3,(H,27,28,29)
InChIKeyAHDZHOUDVURIEL-UHFFFAOYSA-N
XLogP5.78
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964678
N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 153457288
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
ethyl 4-[(3-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26442056
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
6-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 91964727
N-[(3-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281609

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 126537715) is N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1cccc(CNc2nc(CNC(C)c3ccccc3)nc3sc(C)c(C)c23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AHDZHOUDVURIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-16-18(3)31-25-23(16)24(27-14-19-9-8-12-21(13-19)30-4)28-22(29-25)15-26-17(2)20-10-6-5-7-11-20/h5-13,17,26H,14-15H2,1-4H3,(H,27,28,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 432.59 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126537715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).