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

C11H19N3O2 — CID 63611438

IUPAC2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(N(CC)CC)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-7-8-9(15)12-11(13-10(8)16)14(5-2)6-3/h4-7H2,1-3H3,(H2,12,13,15,16)
InChIKeyNXSMIKKQOWVHSE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.27
Rot. Bonds5

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

2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63611438) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63611438
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(N(CC)CC)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-7-8-9(15)12-11(13-10(8)16)14(5-2)6-3/h4-7H2,1-3H3,(H2,12,13,15,16)
InChIKeyNXSMIKKQOWVHSE-UHFFFAOYSA-N
XLogP1.27
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.27
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-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63611438) is 2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(N(CC)CC)[nH]c1=O.
What is the InChIKey of 2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is NXSMIKKQOWVHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-7-8-9(15)12-11(13-10(8)16)14(5-2)6-3/h4-7H2,1-3H3,(H2,12,13,15,16).
What are the key properties of 2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.27, 5 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).