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

C12H16N4S — CID 104771374

IUPAC6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)cc(C(C)(C)C)n2)n1
InChIInChI=1S/C12H16N4S/c1-7-6-17-11(14-7)10-15-8(12(2,3)4)5-9(13)16-10/h5-6H,1-4H3,(H2,13,15,16)
InChIKeyUVHDNOGOGYQEKN-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.79
Rot. Bonds1

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

6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 104771374) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID104771374
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)cc(C(C)(C)C)n2)n1
InChIInChI=1S/C12H16N4S/c1-7-6-17-11(14-7)10-15-8(12(2,3)4)5-9(13)16-10/h5-6H,1-4H3,(H2,13,15,16)
InChIKeyUVHDNOGOGYQEKN-UHFFFAOYSA-N
XLogP2.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 62192974
6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843839
6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528413
2-(4-bromophenyl)-6-tert-butylpyrimidin-4-amine
CID 62191727
6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 141266147
6-tert-butyl-2-chloropyrimidin-4-amine
CID 58008872
4,6-ditert-butylpyridin-2-amine
CID 166788497
6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 62203346
2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80962639
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
CID 62201754
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 104771374) is 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1csc(-c2nc(N)cc(C(C)(C)C)n2)n1.
What is the InChIKey of 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is UVHDNOGOGYQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-7-6-17-11(14-7)10-15-8(12(2,3)4)5-9(13)16-10/h5-6H,1-4H3,(H2,13,15,16).
What are the key properties of 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 104771374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).