2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine

C13H17N3S — CID 62747938

IUPAC2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccnc(-c2cccs2)n1
InChIInChI=1S/C13H17N3S/c1-13(2,3)15-9-10-6-7-14-12(16-10)11-5-4-8-17-11/h4-8,15H,9H2,1-3H3
InChIKeyPLKNSRDFFDTRKK-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine

2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine (PubChem CID 62747938) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine
PubChem CID62747938
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccnc(-c2cccs2)n1
InChIInChI=1S/C13H17N3S/c1-13(2,3)15-9-10-6-7-14-12(16-10)11-5-4-8-17-11/h4-8,15H,9H2,1-3H3
InChIKeyPLKNSRDFFDTRKK-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine (CID 62747938) is 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine is CC(C)(C)NCc1ccnc(-c2cccs2)n1.
What is the InChIKey of 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The InChIKey is PLKNSRDFFDTRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2,3)15-9-10-6-7-14-12(16-10)11-5-4-8-17-11/h4-8,15H,9H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 62747938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).