tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate

C14H23N3O4 — CID 58241892

IUPACtert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1cncnc1OCCO
InChIInChI=1S/C14H23N3O4/c1-14(2,3)21-13(19)16-6-4-5-11-9-15-10-17-12(11)20-8-7-18/h9-10,18H,4-8H2,1-3H3,(H,16,19)
InChIKeyIBSRIJMMBLMCBV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.30
Rot. Bonds7

About tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate

tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate (PubChem CID 58241892) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate
PubChem CID58241892
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nametert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1cncnc1OCCO
InChIInChI=1S/C14H23N3O4/c1-14(2,3)21-13(19)16-6-4-5-11-9-15-10-17-12(11)20-8-7-18/h9-10,18H,4-8H2,1-3H3,(H,16,19)
InChIKeyIBSRIJMMBLMCBV-UHFFFAOYSA-N
XLogP1.30
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate (CID 58241892) is tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate is CC(C)(C)OC(=O)NCCCc1cncnc1OCCO.
What is the InChIKey of tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate?
The InChIKey is IBSRIJMMBLMCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2,3)21-13(19)16-6-4-5-11-9-15-10-17-12(11)20-8-7-18/h9-10,18H,4-8H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate?
tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(2-hydroxyethoxy)pyrimidin-5-yl]propyl]carbamate is sourced from PubChem (CID 58241892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).