methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate

C11H15N3O4 — CID 67980903

IUPACmethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)18-10(16)14-7-5-12-8(13-6-7)9(15)17-4/h5-6H,1-4H3,(H,14,16)
InChIKeyIPKIRCYUEHIGKT-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.61
Rot. Bonds2

About methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate

methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate (PubChem CID 67980903) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate
PubChem CID67980903
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)18-10(16)14-7-5-12-8(13-6-7)9(15)17-4/h5-6H,1-4H3,(H,14,16)
InChIKeyIPKIRCYUEHIGKT-UHFFFAOYSA-N
XLogP1.61
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-{[(Tert-butoxy)carbonyl]amino}pyrimidine-2-carboxylic acid
CID 131699612
Methyl 5-aminopyrimidine-2-carboxylate
CID 10654421
Methyl 5-aminopyrimidine-2-carboxylate hydrochloride
CID 72207940
tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate
CID 170912230
5-(((tert-Butoxycarbonyl)amino)methyl)pyrimidine-2-carboxylic acid
CID 177799784
Pyrimidine, 5-amino-2-chloro-4-ethoxycarbonylmethylamino-
CID 108134245
5-Aminopyrimidine-2-carboxylic Acid
CID 12215997
tert-Butyl (2-(trifluoromethyl)pyrimidin-5-yl)carbamate
CID 123766639
tert-butyl N-(2-fluoropyrimidin-5-yl)carbamate
CID 155294184
5-(2,2,2-Trifluoroacetamido)pyrimidine-2-carboxylic acid
CID 165937720
tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate
CID 166337957
ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate
CID 71885327

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate (CID 67980903) is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate is COC(=O)c1ncc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate?
The InChIKey is IPKIRCYUEHIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,3)18-10(16)14-7-5-12-8(13-6-7)9(15)17-4/h5-6H,1-4H3,(H,14,16).
What are the key properties of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate?
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 67980903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).