tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate

C15H23N3O4 — CID 165491268

IUPACtert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)CC1n1cccnc1=O
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)17-11-6-5-10(19)9-12(11)18-8-4-7-16-13(18)20/h4,7-8,10-12,19H,5-6,9H2,1-3H3,(H,17,21)
InChIKeyBHZRCEQCLXFHOO-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.22
Rot. Bonds2

About tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate

tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate (PubChem CID 165491268) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate
PubChem CID165491268
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)CC1n1cccnc1=O
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)17-11-6-5-10(19)9-12(11)18-8-4-7-16-13(18)20/h4,7-8,10-12,19H,5-6,9H2,1-3H3,(H,17,21)
InChIKeyBHZRCEQCLXFHOO-UHFFFAOYSA-N
XLogP1.22
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate
CID 165498541
tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
CID 165498547
tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
CID 165498320
tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
CID 165497934
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-yl]carbamate
CID 176655631
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103
1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one
CID 165499291
tert-butyl N-[(1R)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R)-3-oxocyclopentyl]carbamate
CID 159223543

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate (CID 165491268) is tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(O)CC1n1cccnc1=O.
What is the InChIKey of tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate?
The InChIKey is BHZRCEQCLXFHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)17-11-6-5-10(19)9-12(11)18-8-4-7-16-13(18)20/h4,7-8,10-12,19H,5-6,9H2,1-3H3,(H,17,21).
What are the key properties of tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate?
tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate is sourced from PubChem (CID 165491268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).