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

C13H23N3O — CID 135677606

IUPAC2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(N(CC)CC)[nH]c(=O)c1CC
InChIInChI=1S/C13H23N3O/c1-5-9-11-10(6-2)12(17)15-13(14-11)16(7-3)8-4/h5-9H2,1-4H3,(H,14,15,17)
InChIKeyJYIKEYONSMBFKJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.13
Rot. Bonds6

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

2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135677606) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135677606
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(N(CC)CC)[nH]c(=O)c1CC
InChIInChI=1S/C13H23N3O/c1-5-9-11-10(6-2)12(17)15-13(14-11)16(7-3)8-4/h5-9H2,1-4H3,(H,14,15,17)
InChIKeyJYIKEYONSMBFKJ-UHFFFAOYSA-N
XLogP2.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one (CID 135677606) is 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one is CCCc1nc(N(CC)CC)[nH]c(=O)c1CC.
What is the InChIKey of 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is JYIKEYONSMBFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-9-11-10(6-2)12(17)15-13(14-11)16(7-3)8-4/h5-9H2,1-4H3,(H,14,15,17).
What are the key properties of 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one?
2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 237.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135677606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).