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

C11H19ClN6O2 — CID 21434530

IUPAC1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C11H19ClN6O2/c1-6(2)15-10-17-8(12)16-9(18-10)14-5-7(3)20-11(19)13-4/h6-7H,5H2,1-4H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyAOGCLDHQSQNGKX-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.50
Rot. Bonds6

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

1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate (PubChem CID 21434530) has the molecular formula C11H19ClN6O2 and a molecular weight of 302.77 g/mol. Its IUPAC name is 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate
PubChem CID21434530
Molecular FormulaC11H19ClN6O2
Molecular Weight302.77 g/mol
Exact Mass302.13
IUPAC Name1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C11H19ClN6O2/c1-6(2)15-10-17-8(12)16-9(18-10)14-5-7(3)20-11(19)13-4/h6-7H,5H2,1-4H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyAOGCLDHQSQNGKX-UHFFFAOYSA-N
XLogP1.50
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate with MolForge

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Related Compounds

6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
CID 21434511
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434514
2-Chloro-4-(3-Methoxypropylamino)-6-(2-[Methylcarbamyloxy]ethylamino)-s-Triazine
CID 21434527
2-[[4-chloro-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-propan-2-ylcarbamate
CID 21434532
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate
CID 21434534
2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate
CID 21434541
2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434550
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate
CID 21434551
2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
CID 21434556
2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
CID 21434559
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
CID 21434560

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate?
The IUPAC name of 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate (CID 21434530) is 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate.
What is the SMILES notation for 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate?
The canonical SMILES for 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate is CNC(=O)OC(C)CNc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate?
The InChIKey is AOGCLDHQSQNGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O2/c1-6(2)15-10-17-8(12)16-9(18-10)14-5-7(3)20-11(19)13-4/h6-7H,5H2,1-4H3,(H,13,19)(H2,14,15,16,17,18).
What are the key properties of 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate?
1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate has a molecular weight of 302.77 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate is sourced from PubChem (CID 21434530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).