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

C12H17N3O4 — CID 169467166

IUPACtert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)13-6-4-5-8-9(16)14-7-15-10(8)17/h4-5,7H,6H2,1-3H3,(H,13,18)(H2,14,15,16,17)
InChIKeyVGNJFHIPYVTSMM-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.01
Rot. Bonds3

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

tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate (PubChem CID 169467166) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate
PubChem CID169467166
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nametert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)13-6-4-5-8-9(16)14-7-15-10(8)17/h4-5,7H,6H2,1-3H3,(H,13,18)(H2,14,15,16,17)
InChIKeyVGNJFHIPYVTSMM-UHFFFAOYSA-N
XLogP1.01
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]carbamate
CID 169468114
tert-butyl N-[4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enyl]carbamate
CID 170491077
tert-butyl N-[(E)-4-(6-oxo-1H-pyrimidin-4-yl)but-3-enyl]carbamate
CID 136969679
tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)but-3-enyl]carbamate
CID 140811934
N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465111
tert-butyl N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate
CID 169466945
4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
CID 169473275
5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 170486632
N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide
CID 170488334
tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]carbamate
CID 170489899
tert-butyl N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]carbamate
CID 170490120
4-hydroxy-5-[4-(methylamino)but-1-enyl]-1H-pyrimidin-6-one
CID 170495434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate (CID 169467166) is tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate?
The InChIKey is VGNJFHIPYVTSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)13-6-4-5-8-9(16)14-7-15-10(8)17/h4-5,7H,6H2,1-3H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate has a molecular weight of 267.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).