2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C11H19N3O2 — CID 63612123

IUPAC2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-5-14(6-2)11-12-9(15)8(7(3)4)10(16)13-11/h7H,5-6H2,1-4H3,(H2,12,13,15,16)
InChIKeyMZGIUAGUQVGEJH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.45
Rot. Bonds4

About 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63612123) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63612123
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-5-14(6-2)11-12-9(15)8(7(3)4)10(16)13-11/h7H,5-6H2,1-4H3,(H2,12,13,15,16)
InChIKeyMZGIUAGUQVGEJH-UHFFFAOYSA-N
XLogP1.45
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 63612123) is 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CCN(CC)c1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MZGIUAGUQVGEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14(6-2)11-12-9(15)8(7(3)4)10(16)13-11/h7H,5-6H2,1-4H3,(H2,12,13,15,16).
What are the key properties of 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).