4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine

C18H21ClN4S — CID 158753076

IUPAC4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1.Cc1nc(Cl)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C13H9ClN2S.C5H12N2/c1-8-15-12(14)11-10(7-17-13(11)16-8)9-5-3-2-4-6-9;1-5-4-6-2-3-7-5/h2-7H,1H3;5-7H,2-4H2,1H3/t;5-/m.1/s1
InChIKeyINSLYSNVKJHDCF-QDXATWJZSA-N
MW360.91 g/mol
LogP3.89
Rot. Bonds1

About 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine

4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine (PubChem CID 158753076) has the molecular formula C18H21ClN4S and a molecular weight of 360.91 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine.

Molecular Properties

Compound Name4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine
PubChem CID158753076
Molecular FormulaC18H21ClN4S
Molecular Weight360.91 g/mol
Exact Mass360.12
IUPAC Name4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1.Cc1nc(Cl)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C13H9ClN2S.C5H12N2/c1-8-15-12(14)11-10(7-17-13(11)16-8)9-5-3-2-4-6-9;1-5-4-6-2-3-7-5/h2-7H,1H3;5-7H,2-4H2,1H3/t;5-/m.1/s1
InChIKeyINSLYSNVKJHDCF-QDXATWJZSA-N
XLogP3.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine?
The IUPAC name of 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine (CID 158753076) is 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine.
What is the SMILES notation for 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine?
The canonical SMILES for 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine is C[C@@H]1CNCCN1.Cc1nc(Cl)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine?
The InChIKey is INSLYSNVKJHDCF-QDXATWJZSA-N. The full InChI is InChI=1S/C13H9ClN2S.C5H12N2/c1-8-15-12(14)11-10(7-17-13(11)16-8)9-5-3-2-4-6-9;1-5-4-6-2-3-7-5/h2-7H,1H3;5-7H,2-4H2,1H3/t;5-/m.1/s1.
What are the key properties of 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine?
4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine has a molecular weight of 360.91 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine is sourced from PubChem (CID 158753076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).