[4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate

C15H17FN4O2 — CID 175601308

IUPAC[4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate
SMILESCc1cc(-c2ncnc(C(C)(C)C)n2)c(F)cc1OC(N)=O
InChIInChI=1S/C15H17FN4O2/c1-8-5-9(10(16)6-11(8)22-14(17)21)12-18-7-19-13(20-12)15(2,3)4/h5-7H,1-4H3,(H2,17,21)
InChIKeyNDGQSKXWTWOVJI-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.74
Rot. Bonds2

About [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate

[4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate (PubChem CID 175601308) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate.

Molecular Properties

Compound Name[4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate
PubChem CID175601308
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name[4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate
SMILESCc1cc(-c2ncnc(C(C)(C)C)n2)c(F)cc1OC(N)=O
InChIInChI=1S/C15H17FN4O2/c1-8-5-9(10(16)6-11(8)22-14(17)21)12-18-7-19-13(20-12)15(2,3)4/h5-7H,1-4H3,(H2,17,21)
InChIKeyNDGQSKXWTWOVJI-UHFFFAOYSA-N
XLogP2.74
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate?
The IUPAC name of [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate (CID 175601308) is [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate.
What is the SMILES notation for [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate?
The canonical SMILES for [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate is Cc1cc(-c2ncnc(C(C)(C)C)n2)c(F)cc1OC(N)=O.
What is the InChIKey of [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate?
The InChIKey is NDGQSKXWTWOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-8-5-9(10(16)6-11(8)22-14(17)21)12-18-7-19-13(20-12)15(2,3)4/h5-7H,1-4H3,(H2,17,21).
What are the key properties of [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate?
[4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate has a molecular weight of 304.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate is sourced from PubChem (CID 175601308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).