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

C16H16N4S — CID 133299720

IUPAC2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NC(c2ccccc2)c2nccs2)nc(C)n1
InChIInChI=1S/C16H16N4S/c1-11-10-14(19-12(2)18-11)20-15(16-17-8-9-21-16)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H,18,19,20)
InChIKeyFYFMOLFKAIIOLN-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.75
Rot. Bonds4

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

2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 133299720) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID133299720
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NC(c2ccccc2)c2nccs2)nc(C)n1
InChIInChI=1S/C16H16N4S/c1-11-10-14(19-12(2)18-11)20-15(16-17-8-9-21-16)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H,18,19,20)
InChIKeyFYFMOLFKAIIOLN-UHFFFAOYSA-N
XLogP3.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 133299720) is 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is Cc1cc(NC(c2ccccc2)c2nccs2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is FYFMOLFKAIIOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-11-10-14(19-12(2)18-11)20-15(16-17-8-9-21-16)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H,18,19,20).
What are the key properties of 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 296.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133299720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).