2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine

C13H18N4OS — CID 106928463

IUPAC2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1coc(Sc2nc(C(C)(C)C)nc(N)c2C)n1
InChIInChI=1S/C13H18N4OS/c1-7-6-18-12(15-7)19-10-8(2)9(14)16-11(17-10)13(3,4)5/h6H,1-5H3,(H2,14,16,17)
InChIKeyFPWRHKQEPQICER-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.11
Rot. Bonds2

About 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine

2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 106928463) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID106928463
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1coc(Sc2nc(C(C)(C)C)nc(N)c2C)n1
InChIInChI=1S/C13H18N4OS/c1-7-6-18-12(15-7)19-10-8(2)9(14)16-11(17-10)13(3,4)5/h6H,1-5H3,(H2,14,16,17)
InChIKeyFPWRHKQEPQICER-UHFFFAOYSA-N
XLogP3.11
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
2-tert-butyl-6-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991175
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 115384405
[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 106928843
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928814
2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine
CID 80995478
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 106928463) is 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine is Cc1coc(Sc2nc(C(C)(C)C)nc(N)c2C)n1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is FPWRHKQEPQICER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7-6-18-12(15-7)19-10-8(2)9(14)16-11(17-10)13(3,4)5/h6H,1-5H3,(H2,14,16,17).
What are the key properties of 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 106928463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).