tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate

C11H15N3O3 — CID 11075458

IUPACtert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
SMILESCC(=O)c1ccnc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H15N3O3/c1-7(15)8-5-6-12-9(13-8)14-10(16)17-11(2,3)4/h5-6H,1-4H3,(H,12,13,14,16)
InChIKeyGYLGWMPKELCYDD-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.03
Rot. Bonds2

About tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate

tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate (PubChem CID 11075458) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
PubChem CID11075458
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nametert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
SMILESCC(=O)c1ccnc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H15N3O3/c1-7(15)8-5-6-12-9(13-8)14-10(16)17-11(2,3)4/h5-6H,1-4H3,(H,12,13,14,16)
InChIKeyGYLGWMPKELCYDD-UHFFFAOYSA-N
XLogP2.03
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
CID 83854419
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,5-triazin-2-yl]acetic acid
CID 53416267
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
methyl (Z)-2-(2-acetamidopyrimidin-4-yl)-3-hydroxybut-2-enoate
CID 135445347
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(3-bromo-1H-pyrrolo[3,2-c]pyridin-4-yl)carbamate
CID 59341159
4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 167738680
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate (CID 11075458) is tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate is CC(=O)c1ccnc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate?
The InChIKey is GYLGWMPKELCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(15)8-5-6-12-9(13-8)14-10(16)17-11(2,3)4/h5-6H,1-4H3,(H,12,13,14,16).
What are the key properties of tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate?
tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate has a molecular weight of 237.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate is sourced from PubChem (CID 11075458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).