N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine

C11H18ClN5O — CID 3464419

IUPACN-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18ClN5O/c1-11(2,3)16-9-13-8(12)14-10(15-9)17-4-6-18-7-5-17/h4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyIIAZDQIGBPKRNP-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.57
Rot. Bonds2

About N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3464419) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3464419
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC NameN-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18ClN5O/c1-11(2,3)16-9-13-8(12)14-10(15-9)17-4-6-18-7-5-17/h4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyIIAZDQIGBPKRNP-UHFFFAOYSA-N
XLogP1.57
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 3464419) is N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(C)(C)Nc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is IIAZDQIGBPKRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-11(2,3)16-9-13-8(12)14-10(15-9)17-4-6-18-7-5-17/h4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 271.75 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3464419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).