4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine

C12H13N5S — CID 72890425

IUPAC4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCc2cn3c(C)csc3n2)n1
InChIInChI=1S/C12H13N5S/c1-8-3-4-13-11(15-8)14-5-10-6-17-9(2)7-18-12(17)16-10/h3-4,6-7H,5H2,1-2H3,(H,13,14,15)
InChIKeyRKXRROJLPKHYAY-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine

4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine (PubChem CID 72890425) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine
PubChem CID72890425
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCc2cn3c(C)csc3n2)n1
InChIInChI=1S/C12H13N5S/c1-8-3-4-13-11(15-8)14-5-10-6-17-9(2)7-18-12(17)16-10/h3-4,6-7H,5H2,1-2H3,(H,13,14,15)
InChIKeyRKXRROJLPKHYAY-UHFFFAOYSA-N
XLogP2.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine (CID 72890425) is 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine is Cc1ccnc(NCc2cn3c(C)csc3n2)n1.
What is the InChIKey of 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine?
The InChIKey is RKXRROJLPKHYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-3-4-13-11(15-8)14-5-10-6-17-9(2)7-18-12(17)16-10/h3-4,6-7H,5H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine?
4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine has a molecular weight of 259.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 72890425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).