methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate

C17H19N3O5 — CID 69411937

IUPACmethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(Oc2cccc(NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C17H19N3O5/c1-17(2,3)25-16(22)19-11-6-5-7-12(10-11)24-13-8-9-18-14(20-13)15(21)23-4/h5-10H,1-4H3,(H,19,22)
InChIKeyWOWXATUBKJVYGD-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.40
Rot. Bonds4

About methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate

methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate (PubChem CID 69411937) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate
PubChem CID69411937
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Namemethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(Oc2cccc(NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C17H19N3O5/c1-17(2,3)25-16(22)19-11-6-5-7-12(10-11)24-13-8-9-18-14(20-13)15(21)23-4/h5-10H,1-4H3,(H,19,22)
InChIKeyWOWXATUBKJVYGD-UHFFFAOYSA-N
XLogP3.40
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate
CID 57387079
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
trimethyl-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidin-2-yl]azanium
CID 58917187
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-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 58917280
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029
tert-butyl N-[3-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]phenyl]carbamate
CID 70843625
tert-butyl N-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 87629672

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate (CID 69411937) is methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate is COC(=O)c1nccc(Oc2cccc(NC(=O)OC(C)(C)C)c2)n1.
What is the InChIKey of methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate?
The InChIKey is WOWXATUBKJVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-17(2,3)25-16(22)19-11-6-5-7-12(10-11)24-13-8-9-18-14(20-13)15(21)23-4/h5-10H,1-4H3,(H,19,22).
What are the key properties of methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate?
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate is sourced from PubChem (CID 69411937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).