5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one

C13H22N4O2 — CID 136661765

IUPAC5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCNCC2)[nH]c(=O)c1CCO
InChIInChI=1S/C13H22N4O2/c1-9-11(4-7-18)12(19)17-13(16-9)15-8-10-2-5-14-6-3-10/h10,14,18H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyMUUBKCKAQXXTEA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.02
Rot. Bonds5

About 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136661765) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136661765
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCNCC2)[nH]c(=O)c1CCO
InChIInChI=1S/C13H22N4O2/c1-9-11(4-7-18)12(19)17-13(16-9)15-8-10-2-5-14-6-3-10/h10,14,18H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyMUUBKCKAQXXTEA-UHFFFAOYSA-N
XLogP0.02
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one (CID 136661765) is 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one is Cc1nc(NCC2CCNCC2)[nH]c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is MUUBKCKAQXXTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-11(4-7-18)12(19)17-13(16-9)15-8-10-2-5-14-6-3-10/h10,14,18H,2-8H2,1H3,(H2,15,16,17,19).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136661765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).