N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine

C10H13BrClN5O — CID 114156784

IUPACN-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESC=C(Br)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H13BrClN5O/c1-7(11)6-13-9-14-8(12)15-10(16-9)17-2-4-18-5-3-17/h1-6H2,(H,13,14,15,16)
InChIKeyGDWFLFKQGLXJCG-UHFFFAOYSA-N
MW334.61 g/mol
LogP1.68
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 114156784) has the molecular formula C10H13BrClN5O and a molecular weight of 334.61 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID114156784
Molecular FormulaC10H13BrClN5O
Molecular Weight334.61 g/mol
Exact Mass333.00
IUPAC NameN-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESC=C(Br)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H13BrClN5O/c1-7(11)6-13-9-14-8(12)15-10(16-9)17-2-4-18-5-3-17/h1-6H2,(H,13,14,15,16)
InChIKeyGDWFLFKQGLXJCG-UHFFFAOYSA-N
XLogP1.68
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.61
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863353
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864568
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206
4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106197141
3-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178654
4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine
CID 114160296
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586
2-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83020025

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 114156784) is N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine is C=C(Br)CNc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is GDWFLFKQGLXJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN5O/c1-7(11)6-13-9-14-8(12)15-10(16-9)17-2-4-18-5-3-17/h1-6H2,(H,13,14,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 334.61 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114156784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).