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

C9H10N4OS — CID 106928532

IUPAC5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1coc(Sc2nc(N)ncc2C)n1
InChIInChI=1S/C9H10N4OS/c1-5-3-11-8(10)13-7(5)15-9-12-6(2)4-14-9/h3-4H,1-2H3,(H2,10,11,13)
InChIKeyUXKYYMPGILXTEL-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.81
Rot. Bonds2

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

5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 106928532) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID106928532
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1coc(Sc2nc(N)ncc2C)n1
InChIInChI=1S/C9H10N4OS/c1-5-3-11-8(10)13-7(5)15-9-12-6(2)4-14-9/h3-4H,1-2H3,(H2,10,11,13)
InChIKeyUXKYYMPGILXTEL-UHFFFAOYSA-N
XLogP1.81
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551
[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 106923724
[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928463
4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80883561
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 106922418
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 106926061
[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol
CID 106926916
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 106922823
[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 106928843

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 106928532) is 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine is Cc1coc(Sc2nc(N)ncc2C)n1.
What is the InChIKey of 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is UXKYYMPGILXTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-3-11-8(10)13-7(5)15-9-12-6(2)4-14-9/h3-4H,1-2H3,(H2,10,11,13).
What are the key properties of 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 222.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 106928532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).