3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one

C13H19N3O — CID 63794563

IUPAC3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCNC(C1CC1)C1CC1
InChIInChI=1S/C13H19N3O/c17-12-5-6-14-9-16(12)8-7-15-13(10-1-2-10)11-3-4-11/h5-6,9-11,13,15H,1-4,7-8H2
InChIKeyGTTAAKNMMWUACF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.02
Rot. Bonds6

About 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one

3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one (PubChem CID 63794563) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one
PubChem CID63794563
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCNC(C1CC1)C1CC1
InChIInChI=1S/C13H19N3O/c17-12-5-6-14-9-16(12)8-7-15-13(10-1-2-10)11-3-4-11/h5-6,9-11,13,15H,1-4,7-8H2
InChIKeyGTTAAKNMMWUACF-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one (CID 63794563) is 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one is O=c1ccncn1CCNC(C1CC1)C1CC1.
What is the InChIKey of 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one?
The InChIKey is GTTAAKNMMWUACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-12-5-6-14-9-16(12)8-7-15-13(10-1-2-10)11-3-4-11/h5-6,9-11,13,15H,1-4,7-8H2.
What are the key properties of 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one?
3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63794563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).