2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C13H14ClN5O — CID 5124088

IUPAC2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Nc2ccc(Cl)cc2)nc(OC)n1
InChIInChI=1S/C13H14ClN5O/c1-3-8-15-11-17-12(19-13(18-11)20-2)16-10-6-4-9(14)5-7-10/h3-7H,1,8H2,2H3,(H2,15,16,17,18,19)
InChIKeyUQGQEDCHOHOQQX-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.88
Rot. Bonds6

About 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 5124088) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID5124088
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Nc2ccc(Cl)cc2)nc(OC)n1
InChIInChI=1S/C13H14ClN5O/c1-3-8-15-11-17-12(19-13(18-11)20-2)16-10-6-4-9(14)5-7-10/h3-7H,1,8H2,2H3,(H2,15,16,17,18,19)
InChIKeyUQGQEDCHOHOQQX-UHFFFAOYSA-N
XLogP2.88
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Anilazine
CID 7541
Chlorazanil
CID 10374
N-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 2730248
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
6-chloro-N-isopropyl-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N2-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2729981
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
N-(4-chlorophenyl)-6-morpholin-4-yl-N'-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3243109
Chlorazanil Hydrochloride
CID 23616906
4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 16763
2-[[4-(4-Chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 2055451

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 5124088) is 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Nc2ccc(Cl)cc2)nc(OC)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UQGQEDCHOHOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-3-8-15-11-17-12(19-13(18-11)20-2)16-10-6-4-9(14)5-7-10/h3-7H,1,8H2,2H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.74 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5124088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).