N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine

C13H10ClN3S — CID 65452767

IUPACN-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc2sccc2c1
InChIInChI=1S/C13H10ClN3S/c1-8-12(14)15-7-16-13(8)17-10-2-3-11-9(6-10)4-5-18-11/h2-7H,1H3,(H,15,16,17)
InChIKeyOEJLYRAWASGGGX-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.40
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine

N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine (PubChem CID 65452767) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine
PubChem CID65452767
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC NameN-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc2sccc2c1
InChIInChI=1S/C13H10ClN3S/c1-8-12(14)15-7-16-13(8)17-10-2-3-11-9(6-10)4-5-18-11/h2-7H,1H3,(H,15,16,17)
InChIKeyOEJLYRAWASGGGX-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine (CID 65452767) is N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine?
The InChIKey is OEJLYRAWASGGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c1-8-12(14)15-7-16-13(8)17-10-2-3-11-9(6-10)4-5-18-11/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine?
N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine has a molecular weight of 275.76 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 65452767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).