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

C13H18ClN5S — CID 71298937

IUPAC5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(Nc2ncc(C)s2)cc(C2CCCN2)n1.Cl
InChIInChI=1S/C13H17N5S.ClH/c1-8-7-15-13(19-8)18-12-6-11(16-9(2)17-12)10-4-3-5-14-10;/h6-7,10,14H,3-5H2,1-2H3,(H,15,16,17,18);1H
InChIKeyZFVFEYJDCUNOQS-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.14
Rot. Bonds3

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

5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 71298937) has the molecular formula C13H18ClN5S and a molecular weight of 311.84 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID71298937
Molecular FormulaC13H18ClN5S
Molecular Weight311.84 g/mol
Exact Mass311.10
IUPAC Name5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(Nc2ncc(C)s2)cc(C2CCCN2)n1.Cl
InChIInChI=1S/C13H17N5S.ClH/c1-8-7-15-13(19-8)18-12-6-11(16-9(2)17-12)10-4-3-5-14-10;/h6-7,10,14H,3-5H2,1-2H3,(H,15,16,17,18);1H
InChIKeyZFVFEYJDCUNOQS-UHFFFAOYSA-N
XLogP3.14
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride (CID 71298937) is 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride is Cc1nc(Nc2ncc(C)s2)cc(C2CCCN2)n1.Cl.
What is the InChIKey of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZFVFEYJDCUNOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S.ClH/c1-8-7-15-13(19-8)18-12-6-11(16-9(2)17-12)10-4-3-5-14-10;/h6-7,10,14H,3-5H2,1-2H3,(H,15,16,17,18);1H.
What are the key properties of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride?
5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 71298937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).