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

C11H17N3O2 — CID 3489834

IUPAC4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CN2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(15)9(11(16)13-8)7-14-5-3-2-4-6-14/h2-7H2,1H3,(H2,12,13,15,16)
InChIKeyPYBCHEZACIISTH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.77
Rot. Bonds2

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

4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 3489834) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID3489834
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CN2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(15)9(11(16)13-8)7-14-5-3-2-4-6-14/h2-7H2,1H3,(H2,12,13,15,16)
InChIKeyPYBCHEZACIISTH-UHFFFAOYSA-N
XLogP0.77
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one (CID 3489834) is 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one is Cc1nc(O)c(CN2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is PYBCHEZACIISTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-12-10(15)9(11(16)13-8)7-14-5-3-2-4-6-14/h2-7H2,1H3,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 3489834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).