tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate

C15H17ClN4O3 — CID 133057700

IUPACtert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C15H17ClN4O3/c1-15(2,3)23-14(21)18-9-4-6-10(7-5-9)22-12-8-11(16)19-13(17)20-12/h4-8H,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeyTZMDHQXDZYBCEH-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate

tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate (PubChem CID 133057700) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
PubChem CID133057700
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Nametert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C15H17ClN4O3/c1-15(2,3)23-14(21)18-9-4-6-10(7-5-9)22-12-8-11(16)19-13(17)20-12/h4-8H,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeyTZMDHQXDZYBCEH-UHFFFAOYSA-N
XLogP3.85
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
CID 163247823
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214
trimethyl-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidin-2-yl]azanium
CID 58917187
tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
CID 133058698
tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate
CID 133063547
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate
CID 20624439
4-bromoaniline;tert-butyl N-(4-bromophenyl)carbamate
CID 158972622
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate (CID 133057700) is tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate?
The InChIKey is TZMDHQXDZYBCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-15(2,3)23-14(21)18-9-4-6-10(7-5-9)22-12-8-11(16)19-13(17)20-12/h4-8H,1-3H3,(H,18,21)(H2,17,19,20).
What are the key properties of tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate?
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate has a molecular weight of 336.78 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 133057700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).