1-[2-(propylamino)pentyl]pyrimidin-2-one

C12H21N3O — CID 62044282

IUPAC1-[2-(propylamino)pentyl]pyrimidin-2-one
SMILESCCCNC(CCC)Cn1cccnc1=O
InChIInChI=1S/C12H21N3O/c1-3-6-11(13-7-4-2)10-15-9-5-8-14-12(15)16/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3
InChIKeySWRKWPKZUPDIIC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds7

About 1-[2-(propylamino)pentyl]pyrimidin-2-one

1-[2-(propylamino)pentyl]pyrimidin-2-one (PubChem CID 62044282) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(propylamino)pentyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(propylamino)pentyl]pyrimidin-2-one
PubChem CID62044282
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(propylamino)pentyl]pyrimidin-2-one
SMILESCCCNC(CCC)Cn1cccnc1=O
InChIInChI=1S/C12H21N3O/c1-3-6-11(13-7-4-2)10-15-9-5-8-14-12(15)16/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3
InChIKeySWRKWPKZUPDIIC-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)pentyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(propylamino)pentyl]pyrimidin-2-one (CID 62044282) is 1-[2-(propylamino)pentyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(propylamino)pentyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(propylamino)pentyl]pyrimidin-2-one is CCCNC(CCC)Cn1cccnc1=O.
What is the InChIKey of 1-[2-(propylamino)pentyl]pyrimidin-2-one?
The InChIKey is SWRKWPKZUPDIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-6-11(13-7-4-2)10-15-9-5-8-14-12(15)16/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-[2-(propylamino)pentyl]pyrimidin-2-one?
1-[2-(propylamino)pentyl]pyrimidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)pentyl]pyrimidin-2-one is sourced from PubChem (CID 62044282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).