N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine

C16H17N3S — CID 63617235

IUPACN-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine
SMILESCNC(Cc1ncnc2sc(C)cc12)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-11-8-13-15(18-10-19-16(13)20-11)9-14(17-2)12-6-4-3-5-7-12/h3-8,10,14,17H,9H2,1-2H3
InChIKeyOZBMKEPAUPDVDP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine

N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine (PubChem CID 63617235) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine
PubChem CID63617235
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine
SMILESCNC(Cc1ncnc2sc(C)cc12)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-11-8-13-15(18-10-19-16(13)20-11)9-14(17-2)12-6-4-3-5-7-12/h3-8,10,14,17H,9H2,1-2H3
InChIKeyOZBMKEPAUPDVDP-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylethanamine
CID 55162208
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2974524
2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine
CID 79734364
1-(4-benzhydrylpiperazin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081494
N-methyl-2-(4-methylpyrimidin-2-yl)-1-phenylethanamine
CID 63199814
3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one
CID 55248192
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine
CID 63198232
N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine
CID 63199538
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618764
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine?
The IUPAC name of N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine (CID 63617235) is N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine?
The canonical SMILES for N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine is CNC(Cc1ncnc2sc(C)cc12)c1ccccc1.
What is the InChIKey of N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine?
The InChIKey is OZBMKEPAUPDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-8-13-15(18-10-19-16(13)20-11)9-14(17-2)12-6-4-3-5-7-12/h3-8,10,14,17H,9H2,1-2H3.
What are the key properties of N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine?
N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanamine is sourced from PubChem (CID 63617235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).