5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one

C9H15N3O — CID 83875791

IUPAC5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(CCCN)c(=O)n1C
InChIInChI=1S/C9H15N3O/c1-7-11-6-8(4-3-5-10)9(13)12(7)2/h6H,3-5,10H2,1-2H3
InChIKeyUGXHHQLBZCJGRV-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.02
Rot. Bonds3

About 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one

5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one (PubChem CID 83875791) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one
PubChem CID83875791
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(CCCN)c(=O)n1C
InChIInChI=1S/C9H15N3O/c1-7-11-6-8(4-3-5-10)9(13)12(7)2/h6H,3-5,10H2,1-2H3
InChIKeyUGXHHQLBZCJGRV-UHFFFAOYSA-N
XLogP-0.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
3-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983903
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
N-ethyl-7H-imidazo[4,5-b]pyridine-6-carboxamide
CID 150267600
5-Butan-2-yl-2,3-dimethylpyrimidin-4-one
CID 153576843
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485
3-Ethyl-5-propylpyrimidin-4-one
CID 156480009
2,3-Dimethyl-5-prop-1-en-2-ylpyrimidin-4-one
CID 163509220
2,5-dipropyl-1H-pyrimidin-6-one
CID 165101826
2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
CID 169664171

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one (CID 83875791) is 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one is Cc1ncc(CCCN)c(=O)n1C.
What is the InChIKey of 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one?
The InChIKey is UGXHHQLBZCJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-11-6-8(4-3-5-10)9(13)12(7)2/h6H,3-5,10H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one?
5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 83875791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).