4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine

C9H9Cl2N5O — CID 79237881

IUPAC4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
SMILESCc1noc(C)c1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H9Cl2N5O/c1-4-6(5(2)17-16-4)3-12-9-14-7(10)13-8(11)15-9/h3H2,1-2H3,(H,12,13,14,15)
InChIKeyFQGCHVKWKFIXIN-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.40
Rot. Bonds3

About 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 79237881) has the molecular formula C9H9Cl2N5O and a molecular weight of 274.11 g/mol. Its IUPAC name is 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID79237881
Molecular FormulaC9H9Cl2N5O
Molecular Weight274.11 g/mol
Exact Mass273.02
IUPAC Name4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
SMILESCc1noc(C)c1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H9Cl2N5O/c1-4-6(5(2)17-16-4)3-12-9-14-7(10)13-8(11)15-9/h3H2,1-2H3,(H,12,13,14,15)
InChIKeyFQGCHVKWKFIXIN-UHFFFAOYSA-N
XLogP2.40
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 79234521
2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80835627
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 112638161
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 79238103
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79503728
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
5-(1-chloroethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106958045
4-bromo-2,3-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CID 113429964
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 78974618
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79237638
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 79242359

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine (CID 79237881) is 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine is Cc1noc(C)c1CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is FQGCHVKWKFIXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5O/c1-4-6(5(2)17-16-4)3-12-9-14-7(10)13-8(11)15-9/h3H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 274.11 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 79237881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).