5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C15H22N6S — CID 110255581

IUPAC5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nnc(C)s2)cc(C2CCCN2C(C)C)n1
InChIInChI=1S/C15H22N6S/c1-9(2)21-7-5-6-13(21)12-8-14(17-10(3)16-12)18-15-20-19-11(4)22-15/h8-9,13H,5-7H2,1-4H3,(H,16,17,18,20)
InChIKeyWUKSFIKMVSXEGU-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.23
Rot. Bonds4

About 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 110255581) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID110255581
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC Name5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nnc(C)s2)cc(C2CCCN2C(C)C)n1
InChIInChI=1S/C15H22N6S/c1-9(2)21-7-5-6-13(21)12-8-14(17-10(3)16-12)18-15-20-19-11(4)22-15/h8-9,13H,5-7H2,1-4H3,(H,16,17,18,20)
InChIKeyWUKSFIKMVSXEGU-UHFFFAOYSA-N
XLogP3.23
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 110255581) is 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is Cc1nc(Nc2nnc(C)s2)cc(C2CCCN2C(C)C)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WUKSFIKMVSXEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-9(2)21-7-5-6-13(21)12-8-14(17-10(3)16-12)18-15-20-19-11(4)22-15/h8-9,13H,5-7H2,1-4H3,(H,16,17,18,20).
What are the key properties of 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 318.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 110255581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).