2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C14H18ClN5O — CID 744431

IUPAC2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C14H18ClN5O/c1-14(2,3)20-13-18-11(15)17-12(19-13)16-9-7-5-6-8-10(9)21-4/h5-8H,1-4H3,(H2,16,17,18,19,20)
InChIKeyWMPFNUWVGCJGHG-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.49
Rot. Bonds4

About 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 744431) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID744431
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C14H18ClN5O/c1-14(2,3)20-13-18-11(15)17-12(19-13)16-9-7-5-6-8-10(9)21-4/h5-8H,1-4H3,(H2,16,17,18,19,20)
InChIKeyWMPFNUWVGCJGHG-UHFFFAOYSA-N
XLogP3.49
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 744431) is 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WMPFNUWVGCJGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-14(2,3)20-13-18-11(15)17-12(19-13)16-9-7-5-6-8-10(9)21-4/h5-8H,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-chloro-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 744431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).