methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium

C8H10N3S+ — CID 143551737

IUPACmethyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium
SMILESC[NH2+]c1nc(C)nc2ccsc12
InChIInChI=1S/C8H9N3S/c1-5-10-6-3-4-12-7(6)8(9-2)11-5/h3-4H,1-2H3,(H,9,10,11)/p+1
InChIKeyBBDBOBLFKABDKJ-UHFFFAOYSA-O
MW180.26 g/mol
LogP0.82
Rot. Bonds1

About methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium

methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium (PubChem CID 143551737) has the molecular formula C8H10N3S+ and a molecular weight of 180.26 g/mol. Its IUPAC name is methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium.

Molecular Properties

Compound Namemethyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium
PubChem CID143551737
Molecular FormulaC8H10N3S+
Molecular Weight180.26 g/mol
Exact Mass180.06
IUPAC Namemethyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium
SMILESC[NH2+]c1nc(C)nc2ccsc12
InChIInChI=1S/C8H9N3S/c1-5-10-6-3-4-12-7(6)8(9-2)11-5/h3-4H,1-2H3,(H,9,10,11)/p+1
InChIKeyBBDBOBLFKABDKJ-UHFFFAOYSA-O
XLogP0.82
TPSA42.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium?
The IUPAC name of methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium (CID 143551737) is methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium.
What is the SMILES notation for methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium?
The canonical SMILES for methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium is C[NH2+]c1nc(C)nc2ccsc12.
What is the InChIKey of methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium?
The InChIKey is BBDBOBLFKABDKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N3S/c1-5-10-6-3-4-12-7(6)8(9-2)11-5/h3-4H,1-2H3,(H,9,10,11)/p+1.
What are the key properties of methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium?
methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium has a molecular weight of 180.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylthieno[3,2-d]pyrimidin-4-yl)azanium is sourced from PubChem (CID 143551737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).