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

C8H12ClN5O2 — CID 20624439

IUPACtert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H12ClN5O2/c1-8(2,3)16-7(15)14-6-12-4(9)11-5(10)13-6/h1-3H3,(H3,10,11,12,13,14,15)
InChIKeyUOTWCFZLOZNQLT-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.45
Rot. Bonds1

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

tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate (PubChem CID 20624439) has the molecular formula C8H12ClN5O2 and a molecular weight of 245.67 g/mol. Its IUPAC name is tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate
PubChem CID20624439
Molecular FormulaC8H12ClN5O2
Molecular Weight245.67 g/mol
Exact Mass245.07
IUPAC Nametert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H12ClN5O2/c1-8(2,3)16-7(15)14-6-12-4(9)11-5(10)13-6/h1-3H3,(H3,10,11,12,13,14,15)
InChIKeyUOTWCFZLOZNQLT-UHFFFAOYSA-N
XLogP1.45
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-4,6-dimethoxypyrimidin-5-yl)acetonitrile;tert-butyl N-[5-(cyanomethyl)-4,6-dimethoxypyrimidin-2-yl]carbamate
CID 175788857
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
CID 67062698
tert-butyl N-(3-amino-6-chloro-1,2,4-benzotriazin-8-yl)carbamate
CID 164897937
tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate
CID 20623978
tert-butyl N-(5-formyl-1H-1,2,4-triazol-3-yl)carbamate
CID 20624469
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate (CID 20624439) is tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(N)nc(Cl)n1.
What is the InChIKey of tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate?
The InChIKey is UOTWCFZLOZNQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O2/c1-8(2,3)16-7(15)14-6-12-4(9)11-5(10)13-6/h1-3H3,(H3,10,11,12,13,14,15).
What are the key properties of tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate?
tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate has a molecular weight of 245.67 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 20624439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).