6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C14H16ClN5O2 — CID 3129772

IUPAC6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C14H16ClN5O2/c1-4-7-16-13-18-12(15)19-14(20-13)17-10-6-5-9(21-2)8-11(10)22-3/h4-6,8H,1,7H2,2-3H3,(H2,16,17,18,19,20)
InChIKeyDKLSLEXXMKHUHL-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.88
Rot. Bonds7

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

6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 3129772) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID3129772
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C14H16ClN5O2/c1-4-7-16-13-18-12(15)19-14(20-13)17-10-6-5-9(21-2)8-11(10)22-3/h4-6,8H,1,7H2,2-3H3,(H2,16,17,18,19,20)
InChIKeyDKLSLEXXMKHUHL-UHFFFAOYSA-N
XLogP2.88
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N,N'-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
6-chloro-N,N'-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-[[4-(2-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648021
2-[[4-(4-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648023
N-tert-butyl-6-chloro-N'-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 744431
N-(tert-butyl)-N'-(2,4-dimethoxyphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1096074
N,N'-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 2920642
2-[4-Chloro-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3146888
4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1158975
2-{[4-(Butylamino)-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 23648013
2-{[4-(Azetidin-1-yl)-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 23648016
2-({4-[(2,4-Dimethoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 3129772) is 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DKLSLEXXMKHUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-4-7-16-13-18-12(15)19-14(20-13)17-10-6-5-9(21-2)8-11(10)22-3/h4-6,8H,1,7H2,2-3H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 321.77 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3129772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).