tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate

C13H21N3O4 — CID 58783549

IUPACtert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O4/c1-7(2)10(16-12(19)20-13(3,4)5)11-14-8(17)6-9(18)15-11/h6-7,10H,1-5H3,(H,16,19)(H2,14,15,17,18)
InChIKeyOQAPPHGWPCYSJQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.70
Rot. Bonds3

About tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate

tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate (PubChem CID 58783549) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate
PubChem CID58783549
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nametert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O4/c1-7(2)10(16-12(19)20-13(3,4)5)11-14-8(17)6-9(18)15-11/h6-7,10H,1-5H3,(H,16,19)(H2,14,15,17,18)
InChIKeyOQAPPHGWPCYSJQ-UHFFFAOYSA-N
XLogP1.70
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[5-chloro-4-[4-[4-[5-chloro-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]carbamate
CID 123251841
tert-butyl N-[2-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamate
CID 102970009
tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate
CID 102970448
tert-butyl N-[(1S)-1-[6-(1H-imidazol-5-yl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-2-methylpropyl]carbamate
CID 142482182
tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate
CID 102970623
tert-butyl N-[(1R)-1-[6-(3-fluoro-4-pyridinyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-2-methylpropyl]carbamate
CID 142482229
tert-butyl N-[3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136900907
tert-butyl N-[(1R,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxypropyl]carbamate
CID 86699027
methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 10947036
tert-butyl N-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 70920856
tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate
CID 90821830
tert-butyl N-[(1S)-2-methyl-1-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propyl]carbamate
CID 102095024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate (CID 58783549) is tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate?
The InChIKey is OQAPPHGWPCYSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-7(2)10(16-12(19)20-13(3,4)5)11-14-8(17)6-9(18)15-11/h6-7,10H,1-5H3,(H,16,19)(H2,14,15,17,18).
What are the key properties of tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate?
tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 58783549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).