2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C17H18N4S — CID 3233958

IUPAC2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nccc(NCc3cccs3)n2)cc1
InChIInChI=1S/C17H18N4S/c1-21(2)14-7-5-13(6-8-14)17-18-10-9-16(20-17)19-12-15-4-3-11-22-15/h3-11H,12H2,1-2H3,(H,18,19,20)
InChIKeyMIQLOUNCEHLUCT-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.88
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3233958) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3233958
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nccc(NCc3cccs3)n2)cc1
InChIInChI=1S/C17H18N4S/c1-21(2)14-7-5-13(6-8-14)17-18-10-9-16(20-17)19-12-15-4-3-11-22-15/h3-11H,12H2,1-2H3,(H,18,19,20)
InChIKeyMIQLOUNCEHLUCT-UHFFFAOYSA-N
XLogP3.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3233958) is 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CN(C)c1ccc(-c2nccc(NCc3cccs3)n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is MIQLOUNCEHLUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-21(2)14-7-5-13(6-8-14)17-18-10-9-16(20-17)19-12-15-4-3-11-22-15/h3-11H,12H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 310.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).