tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate

C12H17N3O3 — CID 169466944

IUPACtert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ncc(O)cn1
InChIInChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)13-6-4-5-10-14-7-9(16)8-15-10/h4-5,7-8,16H,6H2,1-3H3,(H,13,17)
InChIKeyJHCJFBIGAUKKFD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate (PubChem CID 169466944) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
PubChem CID169466944
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nametert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ncc(O)cn1
InChIInChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)13-6-4-5-10-14-7-9(16)8-15-10/h4-5,7-8,16H,6H2,1-3H3,(H,13,17)
InChIKeyJHCJFBIGAUKKFD-UHFFFAOYSA-N
XLogP1.72
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol
CID 169473082
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876
tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169467613
tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467144
2-fluoro-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]pyridine-3-carboxylic acid
CID 169467897
CID 89268543
CID 89268543
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809051
tert-butyl N-[3-(2,3,4-trihydroxyphenyl)prop-2-enyl]carbamate
CID 169468710
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169466948

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate (CID 169466944) is tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1ncc(O)cn1.
What is the InChIKey of tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate?
The InChIKey is JHCJFBIGAUKKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)13-6-4-5-10-14-7-9(16)8-15-10/h4-5,7-8,16H,6H2,1-3H3,(H,13,17).
What are the key properties of tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate has a molecular weight of 251.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169466944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).