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

C12H16N4OS — CID 106928450

IUPAC5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Sc2nc(C)co2)n1
InChIInChI=1S/C12H16N4OS/c1-4-5-13-11-14-6-8(2)10(16-11)18-12-15-9(3)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyVLTGWAKSLIFIKP-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.05
Rot. Bonds5

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

5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (PubChem CID 106928450) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
PubChem CID106928450
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Sc2nc(C)co2)n1
InChIInChI=1S/C12H16N4OS/c1-4-5-13-11-14-6-8(2)10(16-11)18-12-15-9(3)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyVLTGWAKSLIFIKP-UHFFFAOYSA-N
XLogP3.05
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80882353
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 115384396
5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928329
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 106928397
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357
5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 114073937
N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80893375
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928566
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (CID 106928450) is 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Sc2nc(C)co2)n1.
What is the InChIKey of 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The InChIKey is VLTGWAKSLIFIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-5-13-11-14-6-8(2)10(16-11)18-12-15-9(3)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,14,16).
What are the key properties of 5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 3.05, 5 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]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106928450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).