N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H15N5O2S — CID 106928501

IUPACN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(Sc2nc(C)co2)n1
InChIInChI=1S/C11H15N5O2S/c1-6(2)18-9-14-8(12-4)15-10(16-9)19-11-13-7(3)5-17-11/h5-6H,1-4H3,(H,12,14,15,16)
InChIKeyIIADEESPYVFESS-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.15
Rot. Bonds5

About N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 106928501) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID106928501
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(Sc2nc(C)co2)n1
InChIInChI=1S/C11H15N5O2S/c1-6(2)18-9-14-8(12-4)15-10(16-9)19-11-13-7(3)5-17-11/h5-6H,1-4H3,(H,12,14,15,16)
InChIKeyIIADEESPYVFESS-UHFFFAOYSA-N
XLogP2.15
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80890265
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928369
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890838
N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927737
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928566
2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 106928502
4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80889092
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885885
4-(2,5-dimethylpyrazol-3-yl)oxy-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 81346559
4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80771725
4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503015

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 106928501) is N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(Sc2nc(C)co2)n1.
What is the InChIKey of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is IIADEESPYVFESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-6(2)18-9-14-8(12-4)15-10(16-9)19-11-13-7(3)5-17-11/h5-6H,1-4H3,(H,12,14,15,16).
What are the key properties of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 281.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106928501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).