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

C11H19ClN4O — CID 55124666

IUPAC4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC(C)(C)CC)n1
InChIInChI=1S/C11H19ClN4O/c1-5-7-17-10-14-8(12)13-9(15-10)16-11(3,4)6-2/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyCSLDTWLBVHXVMN-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.91
Rot. Bonds6

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

4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 55124666) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID55124666
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC(C)(C)CC)n1
InChIInChI=1S/C11H19ClN4O/c1-5-7-17-10-14-8(12)13-9(15-10)16-11(3,4)6-2/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyCSLDTWLBVHXVMN-UHFFFAOYSA-N
XLogP2.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine (CID 55124666) is 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NC(C)(C)CC)n1.
What is the InChIKey of 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is CSLDTWLBVHXVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-5-7-17-10-14-8(12)13-9(15-10)16-11(3,4)6-2/h5-7H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).