N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine

C15H15N3S — CID 175760045

IUPACN-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1sc2ccccc2c1CCNc1ccncn1
InChIInChI=1S/C15H15N3S/c1-11-12(13-4-2-3-5-14(13)19-11)6-9-17-15-7-8-16-10-18-15/h2-5,7-8,10H,6,9H2,1H3,(H,16,17,18)
InChIKeyGWHMIPJFEOWXIT-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.65
Rot. Bonds4

About N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine

N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 175760045) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
PubChem CID175760045
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1sc2ccccc2c1CCNc1ccncn1
InChIInChI=1S/C15H15N3S/c1-11-12(13-4-2-3-5-14(13)19-11)6-9-17-15-7-8-16-10-18-15/h2-5,7-8,10H,6,9H2,1H3,(H,16,17,18)
InChIKeyGWHMIPJFEOWXIT-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine (CID 175760045) is N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine is Cc1sc2ccccc2c1CCNc1ccncn1.
What is the InChIKey of N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is GWHMIPJFEOWXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-12(13-4-2-3-5-14(13)19-11)6-9-17-15-7-8-16-10-18-15/h2-5,7-8,10H,6,9H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine?
N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175760045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).