6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine

C14H17N3OS — CID 66327688

IUPAC6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
SMILESCOc1ncnc(NC2CCCc3sccc32)c1C
InChIInChI=1S/C14H17N3OS/c1-9-13(15-8-16-14(9)18-2)17-11-4-3-5-12-10(11)6-7-19-12/h6-8,11H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyQYGZSZBBJDRSBM-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.34
Rot. Bonds3

About 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine

6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine (PubChem CID 66327688) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
PubChem CID66327688
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
SMILESCOc1ncnc(NC2CCCc3sccc32)c1C
InChIInChI=1S/C14H17N3OS/c1-9-13(15-8-16-14(9)18-2)17-11-4-3-5-12-10(11)6-7-19-12/h6-8,11H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyQYGZSZBBJDRSBM-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine (CID 66327688) is 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine is COc1ncnc(NC2CCCc3sccc32)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The InChIKey is QYGZSZBBJDRSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-13(15-8-16-14(9)18-2)17-11-4-3-5-12-10(11)6-7-19-12/h6-8,11H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66327688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).