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

C14H17N5O2 — CID 3146889

IUPAC6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Nc2ccc(OC)cc2)nc(OC)n1
InChIInChI=1S/C14H17N5O2/c1-4-9-15-12-17-13(19-14(18-12)21-3)16-10-5-7-11(20-2)8-6-10/h4-8H,1,9H2,2-3H3,(H2,15,16,17,18,19)
InChIKeyIJRWPFMLNPICFY-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.23
Rot. Bonds7

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

6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 3146889) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID3146889
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Nc2ccc(OC)cc2)nc(OC)n1
InChIInChI=1S/C14H17N5O2/c1-4-9-15-12-17-13(19-14(18-12)21-3)16-10-5-7-11(20-2)8-6-10/h4-8H,1,9H2,2-3H3,(H2,15,16,17,18,19)
InChIKeyIJRWPFMLNPICFY-UHFFFAOYSA-N
XLogP2.23
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.23
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

2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine
CID 88868
6-(Chloromethyl)-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
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
6-(chloromethyl)-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 932657
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
2-({4-[(2-Ethoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648025
6-hydrazinyl-N2,N4-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1547730
N-tert-butyl-6-chloro-N'-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 744431
N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 944935
N-(4-Methoxy-phenyl)-6-morpholin-4-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 651619

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 3146889) is 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Nc2ccc(OC)cc2)nc(OC)n1.
What is the InChIKey of 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IJRWPFMLNPICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-4-9-15-12-17-13(19-14(18-12)21-3)16-10-5-7-11(20-2)8-6-10/h4-8H,1,9H2,2-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(4-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3146889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).