4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C13H14ClFN4O — CID 105396146

IUPAC4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H14ClFN4O/c1-3-6-16-12-17-11(18-13(19-12)20-2)9-7-8(15)4-5-10(9)14/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyHMBVGYLQENCSJK-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.16
Rot. Bonds5

About 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 105396146) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID105396146
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H14ClFN4O/c1-3-6-16-12-17-11(18-13(19-12)20-2)9-7-8(15)4-5-10(9)14/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyHMBVGYLQENCSJK-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
6-(3-chlorophenyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817534
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
6-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 308819
6-(2-chlorophenyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817340
N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 887238
4-(2-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645151
6-(3-Chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730457
6-(2,6-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852435
5'-CL-2'-Fluorobenzoguanamine
CID 12852437
2'-CL-5'-Fluorobenzoguanamine
CID 12852442
N-ethyl-4-phenyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 32630

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 105396146) is 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is HMBVGYLQENCSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-3-6-16-12-17-11(18-13(19-12)20-2)9-7-8(15)4-5-10(9)14/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 296.73 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 105396146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).