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

C25H27FN4OS — CID 153457288

IUPACN-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CN(C)Cc2nc(NCc3ccccc3F)c3c(C)c(C)sc3n2)c1
InChIInChI=1S/C25H27FN4OS/c1-16-17(2)32-25-23(16)24(27-13-19-9-5-6-11-21(19)26)28-22(29-25)15-30(3)14-18-8-7-10-20(12-18)31-4/h5-12H,13-15H2,1-4H3,(H,27,28,29)
InChIKeyUXNLHQVDKQIDEN-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.70
Rot. Bonds8

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

N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 153457288) has the molecular formula C25H27FN4OS and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID153457288
Molecular FormulaC25H27FN4OS
Molecular Weight450.58 g/mol
Exact Mass450.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CN(C)Cc2nc(NCc3ccccc3F)c3c(C)c(C)sc3n2)c1
InChIInChI=1S/C25H27FN4OS/c1-16-17(2)32-25-23(16)24(27-13-19-9-5-6-11-21(19)26)28-22(29-25)15-30(3)14-18-8-7-10-20(12-18)31-4/h5-12H,13-15H2,1-4H3,(H,27,28,29)
InChIKeyUXNLHQVDKQIDEN-UHFFFAOYSA-N
XLogP5.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964678
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 126537715
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 9283471
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2125559
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63007916
ethyl 4-[(3-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26442056
2-N-[(2-fluorophenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891251

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 153457288) is N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1cccc(CN(C)Cc2nc(NCc3ccccc3F)c3c(C)c(C)sc3n2)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UXNLHQVDKQIDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4OS/c1-16-17(2)32-25-23(16)24(27-13-19-9-5-6-11-21(19)26)28-22(29-25)15-30(3)14-18-8-7-10-20(12-18)31-4/h5-12H,13-15H2,1-4H3,(H,27,28,29).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 450.58 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 153457288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).