3-[2-(propylamino)pentyl]pyrimidin-4-one

C12H21N3O — CID 63769697

IUPAC3-[2-(propylamino)pentyl]pyrimidin-4-one
SMILESCCCNC(CCC)Cn1cnccc1=O
InChIInChI=1S/C12H21N3O/c1-3-5-11(14-7-4-2)9-15-10-13-8-6-12(15)16/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyGYJQOCQWCIHWKL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds7

About 3-[2-(propylamino)pentyl]pyrimidin-4-one

3-[2-(propylamino)pentyl]pyrimidin-4-one (PubChem CID 63769697) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[2-(propylamino)pentyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(propylamino)pentyl]pyrimidin-4-one
PubChem CID63769697
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[2-(propylamino)pentyl]pyrimidin-4-one
SMILESCCCNC(CCC)Cn1cnccc1=O
InChIInChI=1S/C12H21N3O/c1-3-5-11(14-7-4-2)9-15-10-13-8-6-12(15)16/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyGYJQOCQWCIHWKL-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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Related Compounds

1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one
CID 80580297
3-propylpyrimidin-4-one
CID 115679465
6-methoxy-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 105061674
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one
CID 63768833
3-(2-hydroxypropyl)pyrimidin-4-one
CID 63770069
1-(2-methylimidazol-1-yl)-N-propylpentan-2-amine
CID 62042314
3-butylpyrimidin-4-one
CID 115679478
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
CID 62041669
3-[3-(ethylamino)propyl]pyrimidin-4-one
CID 63767956
3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one
CID 63769355
3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one
CID 55234918

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propylamino)pentyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(propylamino)pentyl]pyrimidin-4-one (CID 63769697) is 3-[2-(propylamino)pentyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(propylamino)pentyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(propylamino)pentyl]pyrimidin-4-one is CCCNC(CCC)Cn1cnccc1=O.
What is the InChIKey of 3-[2-(propylamino)pentyl]pyrimidin-4-one?
The InChIKey is GYJQOCQWCIHWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-11(14-7-4-2)9-15-10-13-8-6-12(15)16/h6,8,10-11,14H,3-5,7,9H2,1-2H3.
What are the key properties of 3-[2-(propylamino)pentyl]pyrimidin-4-one?
3-[2-(propylamino)pentyl]pyrimidin-4-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 3-[2-(propylamino)pentyl]pyrimidin-4-one is sourced from PubChem (CID 63769697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).