6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C17H19N3S — CID 81128376

IUPAC6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-c2cccc3ccsc23)c1C
InChIInChI=1S/C17H19N3S/c1-10(2)16-19-14(11(3)17(18-4)20-16)13-7-5-6-12-8-9-21-15(12)13/h5-10H,1-4H3,(H,18,19,20)
InChIKeyXTYRABBPMMVOGT-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.83
Rot. Bonds3

About 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 81128376) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID81128376
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-c2cccc3ccsc23)c1C
InChIInChI=1S/C17H19N3S/c1-10(2)16-19-14(11(3)17(18-4)20-16)13-7-5-6-12-8-9-21-15(12)13/h5-10H,1-4H3,(H,18,19,20)
InChIKeyXTYRABBPMMVOGT-UHFFFAOYSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 81128376) is 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(-c2cccc3ccsc23)c1C.
What is the InChIKey of 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XTYRABBPMMVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-10(2)16-19-14(11(3)17(18-4)20-16)13-7-5-6-12-8-9-21-15(12)13/h5-10H,1-4H3,(H,18,19,20).
What are the key properties of 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81128376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).