2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

C15H14ClN3S2 — CID 66146244

IUPAC2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(CSc3cccc(Cl)c3)nc2s1
InChIInChI=1S/C15H14ClN3S2/c1-2-10-7-12-14(17)18-13(19-15(12)21-10)8-20-11-5-3-4-9(16)6-11/h3-7H,2,8H2,1H3,(H2,17,18,19)
InChIKeySKLOELLEJAKHSV-UHFFFAOYSA-N
MW335.89 g/mol
LogP4.78
Rot. Bonds4

About 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 66146244) has the molecular formula C15H14ClN3S2 and a molecular weight of 335.89 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID66146244
Molecular FormulaC15H14ClN3S2
Molecular Weight335.89 g/mol
Exact Mass335.03
IUPAC Name2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(CSc3cccc(Cl)c3)nc2s1
InChIInChI=1S/C15H14ClN3S2/c1-2-10-7-12-14(17)18-13(19-15(12)21-10)8-20-11-5-3-4-9(16)6-11/h3-7H,2,8H2,1H3,(H2,17,18,19)
InChIKeySKLOELLEJAKHSV-UHFFFAOYSA-N
XLogP4.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 66146244) is 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(CSc3cccc(Cl)c3)nc2s1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SKLOELLEJAKHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S2/c1-2-10-7-12-14(17)18-13(19-15(12)21-10)8-20-11-5-3-4-9(16)6-11/h3-7H,2,8H2,1H3,(H2,17,18,19).
What are the key properties of 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.89 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66146244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).