4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine

C10H17ClN4O2 — CID 65048061

IUPAC4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
SMILESCOCC(Nc1nc(Cl)nc(OC)n1)C(C)C
InChIInChI=1S/C10H17ClN4O2/c1-6(2)7(5-16-3)12-9-13-8(11)14-10(15-9)17-4/h6-7H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyBEIYNCCNAOPUAZ-UHFFFAOYSA-N
MW260.73 g/mol
LogP1.62
Rot. Bonds6

About 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 65048061) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
PubChem CID65048061
Molecular FormulaC10H17ClN4O2
Molecular Weight260.73 g/mol
Exact Mass260.10
IUPAC Name4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
SMILESCOCC(Nc1nc(Cl)nc(OC)n1)C(C)C
InChIInChI=1S/C10H17ClN4O2/c1-6(2)7(5-16-3)12-9-13-8(11)14-10(15-9)17-4/h6-7H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyBEIYNCCNAOPUAZ-UHFFFAOYSA-N
XLogP1.62
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine (CID 65048061) is 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine is COCC(Nc1nc(Cl)nc(OC)n1)C(C)C.
What is the InChIKey of 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is BEIYNCCNAOPUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-6(2)7(5-16-3)12-9-13-8(11)14-10(15-9)17-4/h6-7H,5H2,1-4H3,(H,12,13,14,15).
What are the key properties of 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 260.73 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65048061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).