4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine

C15H16N4S — CID 46889388

IUPAC4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)sc2ccc(C(C)N)cc12
InChIInChI=1S/C15H16N4S/c1-8-11-7-10(9(2)16)3-4-13(11)20-14(8)12-5-6-18-15(17)19-12/h3-7,9H,16H2,1-2H3,(H2,17,18,19)
InChIKeyGZRMTEKIJSSDOK-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.27
Rot. Bonds2

About 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine

4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine (PubChem CID 46889388) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
PubChem CID46889388
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)sc2ccc(C(C)N)cc12
InChIInChI=1S/C15H16N4S/c1-8-11-7-10(9(2)16)3-4-13(11)20-14(8)12-5-6-18-15(17)19-12/h3-7,9H,16H2,1-2H3,(H2,17,18,19)
InChIKeyGZRMTEKIJSSDOK-UHFFFAOYSA-N
XLogP3.27
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine (CID 46889388) is 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine is Cc1c(-c2ccnc(N)n2)sc2ccc(C(C)N)cc12.
What is the InChIKey of 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine?
The InChIKey is GZRMTEKIJSSDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-8-11-7-10(9(2)16)3-4-13(11)20-14(8)12-5-6-18-15(17)19-12/h3-7,9H,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine?
4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 46889388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).