6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

C13H12ClN3S — CID 2974524

IUPAC6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc2c(Nc3ccccc3)ncnc2s1.Cl
InChIInChI=1S/C13H11N3S.ClH/c1-9-7-11-12(14-8-15-13(11)17-9)16-10-5-3-2-4-6-10;/h2-8H,1H3,(H,14,15,16);1H
InChIKeyOUBIRSYWXJEQKB-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.17
Rot. Bonds2

About 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 2974524) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID2974524
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc2c(Nc3ccccc3)ncnc2s1.Cl
InChIInChI=1S/C13H11N3S.ClH/c1-9-7-11-12(14-8-15-13(11)17-9)16-10-5-3-2-4-6-10;/h2-8H,1H3,(H,14,15,16);1H
InChIKeyOUBIRSYWXJEQKB-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 2974524) is 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is Cc1cc2c(Nc3ccccc3)ncnc2s1.Cl.
What is the InChIKey of 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is OUBIRSYWXJEQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S.ClH/c1-9-7-11-12(14-8-15-13(11)17-9)16-10-5-3-2-4-6-10;/h2-8H,1H3,(H,14,15,16);1H.
What are the key properties of 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 277.78 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 2974524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).