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

C14H17ClN4O2 — CID 62864106

IUPAC4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1C
InChIInChI=1S/C14H17ClN4O2/c1-8(2)21-14-18-12(15)17-13(19-14)16-10-5-6-11(20-4)9(3)7-10/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyFBHNTRNURCCEGG-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.37
Rot. Bonds5

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

4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62864106) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62864106
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1C
InChIInChI=1S/C14H17ClN4O2/c1-8(2)21-14-18-12(15)17-13(19-14)16-10-5-6-11(20-4)9(3)7-10/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyFBHNTRNURCCEGG-UHFFFAOYSA-N
XLogP3.37
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62864106) is 4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1C.
What is the InChIKey of 4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is FBHNTRNURCCEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-8(2)21-14-18-12(15)17-13(19-14)16-10-5-6-11(20-4)9(3)7-10/h5-8H,1-4H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 3.37, 5 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-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).