4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one

C13H21N3O — CID 135973612

IUPAC4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1cc(=O)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-9-11(17)15-12(14-10)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3,(H,14,15,17)
InChIKeyIVBSIICFXSVPJN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.06
Rot. Bonds1

About 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one

4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135973612) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID135973612
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1cc(=O)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-9-11(17)15-12(14-10)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3,(H,14,15,17)
InChIKeyIVBSIICFXSVPJN-UHFFFAOYSA-N
XLogP2.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
6-Ethyl-2-(piperidin-1-YL)pyrimidin-4-OL
CID 135573221
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135629605
6-tert-Butyl-2-(1-piperazinyl)-4(3H)-pyrimidinone, AldrichCPR
CID 135889466
2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one
CID 155900879
6-(3-methylbutyl)-2-(piperidin-1-yl)pyrimidin-4(3H)-one
CID 135645679
2-(diethylamino)-4-ethyl-1H-pyrimidin-6-one
CID 135596649
4-tert-butyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135762393
2-(3-ethenylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 136127209
2-(4-ethenylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 136127220
4-butyl-2-(diethylamino)-1H-pyrimidin-6-one
CID 136369540
6-Piperidin-4-yl-2-piperidin-1-yl-pyrimidin-4-ol
CID 136372343

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 135973612) is 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one is CC(C)(C)c1cc(=O)[nH]c(N2CCCCC2)n1.
What is the InChIKey of 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is IVBSIICFXSVPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)10-9-11(17)15-12(14-10)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3,(H,14,15,17).
What are the key properties of 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).