N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine

C15H15N3S2 — CID 103334288

IUPACN-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccc(C)cc2)c2ccsc2n1
InChIInChI=1S/C15H15N3S2/c1-3-16-15-17-13-12(8-9-19-13)14(18-15)20-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKeyPBHJVFWFLPIISS-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.58
Rot. Bonds4

About N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine

N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334288) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334288
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC NameN-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccc(C)cc2)c2ccsc2n1
InChIInChI=1S/C15H15N3S2/c1-3-16-15-17-13-12(8-9-19-13)14(18-15)20-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKeyPBHJVFWFLPIISS-UHFFFAOYSA-N
XLogP4.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine (CID 103334288) is N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Sc2ccc(C)cc2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PBHJVFWFLPIISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-3-16-15-17-13-12(8-9-19-13)14(18-15)20-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 301.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).