tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate

C20H21N5O2 — CID 71605067

IUPACtert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-20(2,3)27-19(26)25-18-23-16(14-10-6-4-7-11-14)22-17(24-18)21-15-12-8-5-9-13-15/h4-13H,1-3H3,(H2,21,22,23,24,25,26)
InChIKeyWVQWCLRVOUOCAQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.63
Rot. Bonds4

About tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate

tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate (PubChem CID 71605067) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate
PubChem CID71605067
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Nametert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-20(2,3)27-19(26)25-18-23-16(14-10-6-4-7-11-14)22-17(24-18)21-15-12-8-5-9-13-15/h4-13H,1-3H3,(H2,21,22,23,24,25,26)
InChIKeyWVQWCLRVOUOCAQ-UHFFFAOYSA-N
XLogP4.63
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[3-[4-[3-[[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-6-(pentylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(pentylamino)-1,3,5-triazin-2-yl]phenyl]carbamate
CID 101226205
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate
CID 101095799
N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 21177324
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide
CID 117092961
tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
CID 90378489
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967
2-N,4-N-bis[3-(butylamino)phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine
CID 21331405
tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
CID 118669396
tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 67026126
tert-butyl N-[2-[[4-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]benzoyl]amino]phenyl]carbamate
CID 42625815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate (CID 71605067) is tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(Nc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate?
The InChIKey is WVQWCLRVOUOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-20(2,3)27-19(26)25-18-23-16(14-10-6-4-7-11-14)22-17(24-18)21-15-12-8-5-9-13-15/h4-13H,1-3H3,(H2,21,22,23,24,25,26).
What are the key properties of tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate?
tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate has a molecular weight of 363.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 71605067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).