4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine

C14H17ClN4O2 — CID 62871544

IUPAC4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(OC)cc2C)n1
InChIInChI=1S/C14H17ClN4O2/c1-4-7-21-14-18-12(15)17-13(19-14)16-11-6-5-10(20-3)8-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,16,17,18,19)
InChIKeyGRAMEGYTCCFIJC-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.37
Rot. Bonds6

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

4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62871544) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62871544
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(OC)cc2C)n1
InChIInChI=1S/C14H17ClN4O2/c1-4-7-21-14-18-12(15)17-13(19-14)16-11-6-5-10(20-3)8-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,16,17,18,19)
InChIKeyGRAMEGYTCCFIJC-UHFFFAOYSA-N
XLogP3.37
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine (CID 62871544) is 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(Nc2ccc(OC)cc2C)n1.
What is the InChIKey of 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is GRAMEGYTCCFIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-4-7-21-14-18-12(15)17-13(19-14)16-11-6-5-10(20-3)8-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62871544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).