tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate

C15H23N3O4 — CID 90889688

IUPACtert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCc1nc(O)c(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O4/c1-9-16-12(19)11(13(20)17-9)10-5-7-18(8-6-10)14(21)22-15(2,3)4/h10H,5-8H2,1-4H3,(H2,16,17,19,20)
InChIKeyQHFADECFSJSGCY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 90889688) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
PubChem CID90889688
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCc1nc(O)c(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O4/c1-9-16-12(19)11(13(20)17-9)10-5-7-18(8-6-10)14(21)22-15(2,3)4/h10H,5-8H2,1-4H3,(H2,16,17,19,20)
InChIKeyQHFADECFSJSGCY-UHFFFAOYSA-N
XLogP1.90
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl (3-(2-cyclopropyl-6-hydroxy-4-oxo-1,4-dihydropyrimidin-5-yl)propyl)carbamate
CID 10286392
4-hydroxy-2-methyl-5-piperidin-4-yl-1H-pyrimidin-6-one
CID 90956795
4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid
CID 137133027
Tert-butyl4-(2-(4-amino-6-hydroxy-2-methylpyrimidin-5-YL)ethyl)piperidine-1-carboxylate
CID 137133028
tert-butyl N-[3-(2-cyclopropyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]carbamate;ethane
CID 142817672
4-hydroxy-2-piperidin-4-yl-5-propyl-1H-pyrimidin-6-one
CID 63554994
Tert-butyl 4-(4,6-dihydroxypyrimidin-2-yl)piperidine-1-carboxylate
CID 165433817

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate (CID 90889688) is tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate is Cc1nc(O)c(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1.
What is the InChIKey of tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The InChIKey is QHFADECFSJSGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9-16-12(19)11(13(20)17-9)10-5-7-18(8-6-10)14(21)22-15(2,3)4/h10H,5-8H2,1-4H3,(H2,16,17,19,20).
What are the key properties of tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 90889688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).