2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine

C12H16N4S2 — CID 80962639

IUPAC2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1csc(Sc2cc(N)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C12H16N4S2/c1-7-6-17-11(14-7)18-9-5-8(13)15-10(16-9)12(2,3)4/h5-6H,1-4H3,(H2,13,15,16)
InChIKeyMSZDONKTZRCFPX-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.27
Rot. Bonds2

About 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine

2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80962639) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80962639
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1csc(Sc2cc(N)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C12H16N4S2/c1-7-6-17-11(14-7)18-9-5-8(13)15-10(16-9)12(2,3)4/h5-6H,1-4H3,(H2,13,15,16)
InChIKeyMSZDONKTZRCFPX-UHFFFAOYSA-N
XLogP3.27
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80962639) is 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine is Cc1csc(Sc2cc(N)nc(C(C)(C)C)n2)n1.
What is the InChIKey of 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is MSZDONKTZRCFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-7-6-17-11(14-7)18-9-5-8(13)15-10(16-9)12(2,3)4/h5-6H,1-4H3,(H2,13,15,16).
What are the key properties of 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine?
2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80962639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).