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

C9H12BrClN4O — CID 106195557

IUPACN-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
SMILESC=C(Br)CNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C9H12BrClN4O/c1-3-4-16-9-14-7(11)13-8(15-9)12-5-6(2)10/h2-5H2,1H3,(H,12,13,14,15)
InChIKeyZCDBQTJPKMUZOZ-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.63
Rot. Bonds6

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

N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 106195557) has the molecular formula C9H12BrClN4O and a molecular weight of 307.58 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
PubChem CID106195557
Molecular FormulaC9H12BrClN4O
Molecular Weight307.58 g/mol
Exact Mass305.99
IUPAC NameN-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
SMILESC=C(Br)CNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C9H12BrClN4O/c1-3-4-16-9-14-7(11)13-8(15-9)12-5-6(2)10/h2-5H2,1H3,(H,12,13,14,15)
InChIKeyZCDBQTJPKMUZOZ-UHFFFAOYSA-N
XLogP2.63
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279495
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66172881
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
4-chloro-N-pent-4-ynyl-6-propoxy-1,3,5-triazin-2-amine
CID 106223061

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine (CID 106195557) is N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine is C=C(Br)CNc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ZCDBQTJPKMUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN4O/c1-3-4-16-9-14-7(11)13-8(15-9)12-5-6(2)10/h2-5H2,1H3,(H,12,13,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 307.58 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106195557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).