6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine

C11H14N4OS — CID 106928531

IUPAC6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1coc(Sc2cc(N)nc(C(C)C)n2)n1
InChIInChI=1S/C11H14N4OS/c1-6(2)10-14-8(12)4-9(15-10)17-11-13-7(3)5-16-11/h4-6H,1-3H3,(H2,12,14,15)
InChIKeyGBQRLPQRLAORLK-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.63
Rot. Bonds3

About 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106928531) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID106928531
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1coc(Sc2cc(N)nc(C(C)C)n2)n1
InChIInChI=1S/C11H14N4OS/c1-6(2)10-14-8(12)4-9(15-10)17-11-13-7(3)5-16-11/h4-6H,1-3H3,(H2,12,14,15)
InChIKeyGBQRLPQRLAORLK-UHFFFAOYSA-N
XLogP2.63
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928339
[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 106928843
6-(3,4-dichlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80963744
6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80962300
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid
CID 106921161
6-(4-tert-butylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80962911
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 115384369
[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 106928837
1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-pyridinyl]ethanol
CID 106926920
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine (CID 106928531) is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine is Cc1coc(Sc2cc(N)nc(C(C)C)n2)n1.
What is the InChIKey of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is GBQRLPQRLAORLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-6(2)10-14-8(12)4-9(15-10)17-11-13-7(3)5-16-11/h4-6H,1-3H3,(H2,12,14,15).
What are the key properties of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 250.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106928531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).