1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one

C12H19N3O — CID 63915445

IUPAC1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one
SMILESCCCNC(Cn1cccnc1=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-2-6-13-11(10-4-5-10)9-15-8-3-7-14-12(15)16/h3,7-8,10-11,13H,2,4-6,9H2,1H3
InChIKeyJENYEEBJJWFISH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds6

About 1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one

1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one (PubChem CID 63915445) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one
PubChem CID63915445
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one
SMILESCCCNC(Cn1cccnc1=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-2-6-13-11(10-4-5-10)9-15-8-3-7-14-12(15)16/h3,7-8,10-11,13H,2,4-6,9H2,1H3
InChIKeyJENYEEBJJWFISH-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
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-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one (CID 63915445) is 1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one is CCCNC(Cn1cccnc1=O)C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one?
The InChIKey is JENYEEBJJWFISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-6-13-11(10-4-5-10)9-15-8-3-7-14-12(15)16/h3,7-8,10-11,13H,2,4-6,9H2,1H3.
What are the key properties of 1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one?
1-[2-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one has a molecular weight of 221.30 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-cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 63915445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).