3-[3-(propylamino)butyl]pyrimidin-4-one

C11H19N3O — CID 63768481

IUPAC3-[3-(propylamino)butyl]pyrimidin-4-one
SMILESCCCNC(C)CCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-3-6-13-10(2)5-8-14-9-12-7-4-11(14)15/h4,7,9-10,13H,3,5-6,8H2,1-2H3
InChIKeyQAZYSWOWJSBFAA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds6

About 3-[3-(propylamino)butyl]pyrimidin-4-one

3-[3-(propylamino)butyl]pyrimidin-4-one (PubChem CID 63768481) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[3-(propylamino)butyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(propylamino)butyl]pyrimidin-4-one
PubChem CID63768481
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[3-(propylamino)butyl]pyrimidin-4-one
SMILESCCCNC(C)CCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-3-6-13-10(2)5-8-14-9-12-7-4-11(14)15/h4,7,9-10,13H,3,5-6,8H2,1-2H3
InChIKeyQAZYSWOWJSBFAA-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8Z)-3-butan-2-yl-5,6-dihydro-4H-1,3,6-triazonin-7-one
CID 58616691
3-ethyl-1H-pyrimidin-3-ium-6-one
CID 60123494
3-[2-(Methylamino)ethyl]pyrimidin-4-one
CID 63768123
3-butan-2-yl-5,6-dihydro-4H-1,3,6-triazonin-7-one
CID 76839460
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
Ethane;3-propan-2-ylpyrimidin-4-one
CID 143160770
N-ethyl-N-[3-(prop-2-enoylamino)propyl]-3-(4H-pyrimidin-3-yl)propanamide
CID 153593507
ethane;1H-pyrimidin-6-one
CID 164543753
butane;1H-pyrimidin-6-one
CID 174559669
3-[2-[2-(Diethylamino)ethylamino]ethyl]pyrimidin-4-one
CID 55236654
3-[2-(5-Methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 55236850
6-Methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one
CID 61387802

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propylamino)butyl]pyrimidin-4-one?
The IUPAC name of 3-[3-(propylamino)butyl]pyrimidin-4-one (CID 63768481) is 3-[3-(propylamino)butyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(propylamino)butyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-(propylamino)butyl]pyrimidin-4-one is CCCNC(C)CCn1cnccc1=O.
What is the InChIKey of 3-[3-(propylamino)butyl]pyrimidin-4-one?
The InChIKey is QAZYSWOWJSBFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-6-13-10(2)5-8-14-9-12-7-4-11(14)15/h4,7,9-10,13H,3,5-6,8H2,1-2H3.
What are the key properties of 3-[3-(propylamino)butyl]pyrimidin-4-one?
3-[3-(propylamino)butyl]pyrimidin-4-one has a molecular weight of 209.29 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-[3-(propylamino)butyl]pyrimidin-4-one is sourced from PubChem (CID 63768481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).