1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one

C13H19N3O — CID 62563636

IUPAC1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCNC(C1CC1)C1CC1
InChIInChI=1S/C13H19N3O/c17-13-15-6-1-8-16(13)9-7-14-12(10-2-3-10)11-4-5-11/h1,6,8,10-12,14H,2-5,7,9H2
InChIKeyQOWMYWZQYYXLJA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.02
Rot. Bonds6

About 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one

1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one (PubChem CID 62563636) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one
PubChem CID62563636
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCNC(C1CC1)C1CC1
InChIInChI=1S/C13H19N3O/c17-13-15-6-1-8-16(13)9-7-14-12(10-2-3-10)11-4-5-11/h1,6,8,10-12,14H,2-5,7,9H2
InChIKeyQOWMYWZQYYXLJA-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 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one (CID 62563636) is 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one is O=c1ncccn1CCNC(C1CC1)C1CC1.
What is the InChIKey of 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one?
The InChIKey is QOWMYWZQYYXLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-15-6-1-8-16(13)9-7-14-12(10-2-3-10)11-4-5-11/h1,6,8,10-12,14H,2-5,7,9H2.
What are the key properties of 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one?
1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-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 1-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62563636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).