5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride

C12H17ClN6S — CID 118741750

IUPAC5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCc1nc(Nc2nnc(C)s2)cc(C2CCCN2)n1.Cl
InChIInChI=1S/C12H16N6S.ClH/c1-7-14-10(9-4-3-5-13-9)6-11(15-7)16-12-18-17-8(2)19-12;/h6,9,13H,3-5H2,1-2H3,(H,14,15,16,18);1H
InChIKeyMDDFFIJNGAMFKS-UHFFFAOYSA-N
MW312.83 g/mol
LogP2.53
Rot. Bonds3

About 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride

5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 118741750) has the molecular formula C12H17ClN6S and a molecular weight of 312.83 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID118741750
Molecular FormulaC12H17ClN6S
Molecular Weight312.83 g/mol
Exact Mass312.09
IUPAC Name5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCc1nc(Nc2nnc(C)s2)cc(C2CCCN2)n1.Cl
InChIInChI=1S/C12H16N6S.ClH/c1-7-14-10(9-4-3-5-13-9)6-11(15-7)16-12-18-17-8(2)19-12;/h6,9,13H,3-5H2,1-2H3,(H,14,15,16,18);1H
InChIKeyMDDFFIJNGAMFKS-UHFFFAOYSA-N
XLogP2.53
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride (CID 118741750) is 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride is Cc1nc(Nc2nnc(C)s2)cc(C2CCCN2)n1.Cl.
What is the InChIKey of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is MDDFFIJNGAMFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S.ClH/c1-7-14-10(9-4-3-5-13-9)6-11(15-7)16-12-18-17-8(2)19-12;/h6,9,13H,3-5H2,1-2H3,(H,14,15,16,18);1H.
What are the key properties of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride?
5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 312.83 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 118741750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).