5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

C19H22N4S — CID 108775381

IUPAC5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(NC(C)c2csc(C)n2)n1
InChIInChI=1S/C19H22N4S/c1-12-17(10-16-8-6-5-7-9-16)19(22-14(3)20-12)21-13(2)18-11-24-15(4)23-18/h5-9,11,13H,10H2,1-4H3,(H,20,21,22)
InChIKeyAEEZBBBKUZJLEU-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.62
Rot. Bonds5

About 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 108775381) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID108775381
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(NC(C)c2csc(C)n2)n1
InChIInChI=1S/C19H22N4S/c1-12-17(10-16-8-6-5-7-9-16)19(22-14(3)20-12)21-13(2)18-11-24-15(4)23-18/h5-9,11,13H,10H2,1-4H3,(H,20,21,22)
InChIKeyAEEZBBBKUZJLEU-UHFFFAOYSA-N
XLogP4.62
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 108775381) is 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is Cc1nc(C)c(Cc2ccccc2)c(NC(C)c2csc(C)n2)n1.
What is the InChIKey of 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is AEEZBBBKUZJLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-12-17(10-16-8-6-5-7-9-16)19(22-14(3)20-12)21-13(2)18-11-24-15(4)23-18/h5-9,11,13H,10H2,1-4H3,(H,20,21,22).
What are the key properties of 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 338.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 108775381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).