2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one

C13H23N3O — CID 154637097

IUPAC2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCN(CCC)c1nc(C)c(CC)c(=O)[nH]1
InChIInChI=1S/C13H23N3O/c1-5-8-16(9-6-2)13-14-10(4)11(7-3)12(17)15-13/h5-9H2,1-4H3,(H,14,15,17)
InChIKeyAHRNGWNMYVPAAO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.27
Rot. Bonds6

About 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 154637097) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID154637097
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCN(CCC)c1nc(C)c(CC)c(=O)[nH]1
InChIInChI=1S/C13H23N3O/c1-5-8-16(9-6-2)13-14-10(4)11(7-3)12(17)15-13/h5-9H2,1-4H3,(H,14,15,17)
InChIKeyAHRNGWNMYVPAAO-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 154637097) is 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCCN(CCC)c1nc(C)c(CC)c(=O)[nH]1.
What is the InChIKey of 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is AHRNGWNMYVPAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-8-16(9-6-2)13-14-10(4)11(7-3)12(17)15-13/h5-9H2,1-4H3,(H,14,15,17).
What are the key properties of 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 237.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154637097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).