4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine

C13H11N3S — CID 24878170

IUPAC4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)sc2ccccc12
InChIInChI=1S/C13H11N3S/c1-8-9-4-2-3-5-11(9)17-12(8)10-6-7-15-13(14)16-10/h2-7H,1H3,(H2,14,15,16)
InChIKeyBEEQTEQZJQMWBW-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.25
Rot. Bonds1

About 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine

4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine (PubChem CID 24878170) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
PubChem CID24878170
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)sc2ccccc12
InChIInChI=1S/C13H11N3S/c1-8-9-4-2-3-5-11(9)17-12(8)10-6-7-15-13(14)16-10/h2-7H,1H3,(H2,14,15,16)
InChIKeyBEEQTEQZJQMWBW-UHFFFAOYSA-N
XLogP3.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine (CID 24878170) is 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine is Cc1c(-c2ccnc(N)n2)sc2ccccc12.
What is the InChIKey of 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The InChIKey is BEEQTEQZJQMWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-8-9-4-2-3-5-11(9)17-12(8)10-6-7-15-13(14)16-10/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 24878170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).