tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate

C14H22N4O3 — CID 171498806

IUPACtert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2ncc(O)cn2)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17(4)10-5-6-18(9-10)12-15-7-11(19)8-16-12/h7-8,10,19H,5-6,9H2,1-4H3
InChIKeyWGKYJQBEDNEAJL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.63
Rot. Bonds2

About tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 171498806) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate
PubChem CID171498806
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2ncc(O)cn2)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17(4)10-5-6-18(9-10)12-15-7-11(19)8-16-12/h7-8,10,19H,5-6,9H2,1-4H3
InChIKeyWGKYJQBEDNEAJL-UHFFFAOYSA-N
XLogP1.63
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate (CID 171498806) is tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCN(c2ncc(O)cn2)C1.
What is the InChIKey of tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is WGKYJQBEDNEAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17(4)10-5-6-18(9-10)12-15-7-11(19)8-16-12/h7-8,10,19H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 294.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 171498806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).