2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate

C11H19ClN6O2 — CID 21434551

IUPAC2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN(C)c1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C11H19ClN6O2/c1-7(2)14-9-15-8(12)16-10(17-9)18(4)5-6-20-11(19)13-3/h7H,5-6H2,1-4H3,(H,13,19)(H,14,15,16,17)
InChIKeyJAXBEZJWLPSFBV-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.14
Rot. Bonds6

About 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate

2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate (PubChem CID 21434551) has the molecular formula C11H19ClN6O2 and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate
PubChem CID21434551
Molecular FormulaC11H19ClN6O2
Molecular Weight302.77 g/mol
Exact Mass302.13
IUPAC Name2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN(C)c1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C11H19ClN6O2/c1-7(2)14-9-15-8(12)16-10(17-9)18(4)5-6-20-11(19)13-3/h7H,5-6H2,1-4H3,(H,13,19)(H,14,15,16,17)
InChIKeyJAXBEZJWLPSFBV-UHFFFAOYSA-N
XLogP1.14
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate?
The IUPAC name of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate (CID 21434551) is 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate is CNC(=O)OCCN(C)c1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate?
The InChIKey is JAXBEZJWLPSFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O2/c1-7(2)14-9-15-8(12)16-10(17-9)18(4)5-6-20-11(19)13-3/h7H,5-6H2,1-4H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate?
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate has a molecular weight of 302.77 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate is sourced from PubChem (CID 21434551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).