N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine

C14H17ClN4O3 — CID 1158970

IUPACN-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cc(Cl)ccc2OC)nc(OCC)n1
InChIInChI=1S/C14H17ClN4O3/c1-4-21-13-17-12(18-14(19-13)22-5-2)16-10-8-9(15)6-7-11(10)20-3/h6-8H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyMZPAEYZMUKUISB-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.07
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine

N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine (PubChem CID 1158970) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
PubChem CID1158970
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cc(Cl)ccc2OC)nc(OCC)n1
InChIInChI=1S/C14H17ClN4O3/c1-4-21-13-17-12(18-14(19-13)22-5-2)16-10-8-9(15)6-7-11(10)20-3/h6-8H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyMZPAEYZMUKUISB-UHFFFAOYSA-N
XLogP3.07
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine (CID 1158970) is N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine is CCOc1nc(Nc2cc(Cl)ccc2OC)nc(OCC)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The InChIKey is MZPAEYZMUKUISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-4-21-13-17-12(18-14(19-13)22-5-2)16-10-8-9(15)6-7-11(10)20-3/h6-8H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine has a molecular weight of 324.77 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 1158970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).