tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate

C15H23N3O4 — CID 10286392

IUPACtert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1c(O)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)16-8-4-5-10-12(19)17-11(9-6-7-9)18-13(10)20/h9H,4-8H2,1-3H3,(H,16,21)(H2,17,18,19,20)
InChIKeyTXBTUGBQDXBPGM-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.81
Rot. Bonds5

About tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate

tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate (PubChem CID 10286392) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate
PubChem CID10286392
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1c(O)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)16-8-4-5-10-12(19)17-11(9-6-7-9)18-13(10)20/h9H,4-8H2,1-3H3,(H,16,21)(H2,17,18,19,20)
InChIKeyTXBTUGBQDXBPGM-UHFFFAOYSA-N
XLogP1.81
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate (CID 10286392) is tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCc1c(O)nc(C2CC2)[nH]c1=O.
What is the InChIKey of tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate?
The InChIKey is TXBTUGBQDXBPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)16-8-4-5-10-12(19)17-11(9-6-7-9)18-13(10)20/h9H,4-8H2,1-3H3,(H,16,21)(H2,17,18,19,20).
What are the key properties of tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate?
tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate is sourced from PubChem (CID 10286392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).