6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine

C10H13ClN6O — CID 114181096

IUPAC6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCc1cnc(CNc2nc(Cl)nc(NC)n2)o1
InChIInChI=1S/C10H13ClN6O/c1-3-6-4-13-7(18-6)5-14-10-16-8(11)15-9(12-2)17-10/h4H,3,5H2,1-2H3,(H2,12,14,15,16,17)
InChIKeySZXSLCXHVZAKIG-UHFFFAOYSA-N
MW268.71 g/mol
LogP1.73
Rot. Bonds5

About 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 114181096) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID114181096
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCc1cnc(CNc2nc(Cl)nc(NC)n2)o1
InChIInChI=1S/C10H13ClN6O/c1-3-6-4-13-7(18-6)5-14-10-16-8(11)15-9(12-2)17-10/h4H,3,5H2,1-2H3,(H2,12,14,15,16,17)
InChIKeySZXSLCXHVZAKIG-UHFFFAOYSA-N
XLogP1.73
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 106373482
4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106375383
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
2-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methylpyrimidine-4,5-diamine
CID 106369366
6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114129238
2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106378957
4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine
CID 106378956
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 106378473
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106379118

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 114181096) is 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CCc1cnc(CNc2nc(Cl)nc(NC)n2)o1.
What is the InChIKey of 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SZXSLCXHVZAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-3-6-4-13-7(18-6)5-14-10-16-8(11)15-9(12-2)17-10/h4H,3,5H2,1-2H3,(H2,12,14,15,16,17).
What are the key properties of 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 268.71 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114181096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).