tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate

C15H18N4O3 — CID 133062095

IUPACtert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Oc2ccnc(N)n2)c1
InChIInChI=1S/C15H18N4O3/c1-15(2,3)22-14(20)18-10-5-4-6-11(9-10)21-12-7-8-17-13(16)19-12/h4-9H,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyOALDWGJSHLSYPF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate

tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate (PubChem CID 133062095) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
PubChem CID133062095
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nametert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Oc2ccnc(N)n2)c1
InChIInChI=1S/C15H18N4O3/c1-15(2,3)22-14(20)18-10-5-4-6-11(9-10)21-12-7-8-17-13(16)19-12/h4-9H,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyOALDWGJSHLSYPF-UHFFFAOYSA-N
XLogP3.20
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate
CID 69411937
tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate
CID 57387079
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
trimethyl-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidin-2-yl]azanium
CID 58917187
tert-butyl N-[3-(4-amino-2-chlorophenoxy)phenyl]carbamate
CID 69161019
tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
CID 157042654
tert-butyl N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 57334481
tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 58917280
tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
CID 90378489
tert-butyl N-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 87629672

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate (CID 133062095) is tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(Oc2ccnc(N)n2)c1.
What is the InChIKey of tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate?
The InChIKey is OALDWGJSHLSYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-15(2,3)22-14(20)18-10-5-4-6-11(9-10)21-12-7-8-17-13(16)19-12/h4-9H,1-3H3,(H,18,20)(H2,16,17,19).
What are the key properties of tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate?
tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate has a molecular weight of 302.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 133062095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).