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

C13H18N6S — CID 110255563

IUPAC5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nnc(C)s2)cc(C2CCCN2C)n1
InChIInChI=1S/C13H18N6S/c1-8-14-10(11-5-4-6-19(11)3)7-12(15-8)16-13-18-17-9(2)20-13/h7,11H,4-6H2,1-3H3,(H,14,15,16,18)
InChIKeyAPJBNXKDIUQQEQ-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.46
Rot. Bonds3

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

5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 110255563) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID110255563
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nnc(C)s2)cc(C2CCCN2C)n1
InChIInChI=1S/C13H18N6S/c1-8-14-10(11-5-4-6-19(11)3)7-12(15-8)16-13-18-17-9(2)20-13/h7,11H,4-6H2,1-3H3,(H,14,15,16,18)
InChIKeyAPJBNXKDIUQQEQ-UHFFFAOYSA-N
XLogP2.46
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 110255563) is 5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is Cc1nc(Nc2nnc(C)s2)cc(C2CCCN2C)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is APJBNXKDIUQQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-8-14-10(11-5-4-6-19(11)3)7-12(15-8)16-13-18-17-9(2)20-13/h7,11H,4-6H2,1-3H3,(H,14,15,16,18).
What are the key properties of 5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 290.40 g/mol, XLogP of 2.46, 3 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-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 110255563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).