4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 105480519

IUPAC4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CCCNC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-7-10(15)13-9(14-11(7)16)5-8-3-2-4-12-6-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyNWQJPEFPAXJIMM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.33
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105480519) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105480519
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CCCNC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-7-10(15)13-9(14-11(7)16)5-8-3-2-4-12-6-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyNWQJPEFPAXJIMM-UHFFFAOYSA-N
XLogP0.33
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 80550884
5-fluoro-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 80550912
2-Cyclopentyl-6-hydroxy-5-methyl-4(3h)-pyrimidinone
CID 10285855
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554635
2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612774
4-hydroxy-2-methyl-5-piperidin-4-yl-1H-pyrimidin-6-one
CID 90956795
4-hydroxy-2-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 117708726
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 153615359
4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 154942917
2-(1-ethyl-6-methylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 170102342
2-Methyl-5-(piperidylmethyl)pyrimidine-4,6-diol
CID 3489834

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 105480519) is 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CC2CCCNC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is NWQJPEFPAXJIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-10(15)13-9(14-11(7)16)5-8-3-2-4-12-6-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105480519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).