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

C14H20N4OS — CID 106928408

IUPAC2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(Sc2nc(C)co2)c1C
InChIInChI=1S/C14H20N4OS/c1-8-7-19-13(16-8)20-11-9(2)10(15-6)17-12(18-11)14(3,4)5/h7H,1-6H3,(H,15,17,18)
InChIKeySMALTLYMHMDJFI-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.57
Rot. Bonds3

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

2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 106928408) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID106928408
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(Sc2nc(C)co2)c1C
InChIInChI=1S/C14H20N4OS/c1-8-7-19-13(16-8)20-11-9(2)10(15-6)17-12(18-11)14(3,4)5/h7H,1-6H3,(H,15,17,18)
InChIKeySMALTLYMHMDJFI-UHFFFAOYSA-N
XLogP3.57
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928463
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005
2-tert-butyl-N,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80989901
2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104604881
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282
[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 106928843
2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
CID 107785070
3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80994978
methyl 2-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylacetate
CID 80991435
2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80974807
5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 114073937

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 106928408) is 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(Sc2nc(C)co2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is SMALTLYMHMDJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8-7-19-13(16-8)20-11-9(2)10(15-6)17-12(18-11)14(3,4)5/h7H,1-6H3,(H,15,17,18).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 106928408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).