3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione

C14H18N4O2 — CID 106933905

IUPAC3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
SMILESNCCCn1c(=O)ccn(CCc2ccccn2)c1=O
InChIInChI=1S/C14H18N4O2/c15-7-3-9-18-13(19)6-11-17(14(18)20)10-5-12-4-1-2-8-16-12/h1-2,4,6,8,11H,3,5,7,9-10,15H2
InChIKeyDWJLFKJUMBIMCS-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.00
Rot. Bonds6

About 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione

3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione (PubChem CID 106933905) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
PubChem CID106933905
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
SMILESNCCCn1c(=O)ccn(CCc2ccccn2)c1=O
InChIInChI=1S/C14H18N4O2/c15-7-3-9-18-13(19)6-11-17(14(18)20)10-5-12-4-1-2-8-16-12/h1-2,4,6,8,11H,3,5,7,9-10,15H2
InChIKeyDWJLFKJUMBIMCS-UHFFFAOYSA-N
XLogP-0.00
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63812391
3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 106933750
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 106933888
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione (CID 106933905) is 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione is NCCCn1c(=O)ccn(CCc2ccccn2)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The InChIKey is DWJLFKJUMBIMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-7-3-9-18-13(19)6-11-17(14(18)20)10-5-12-4-1-2-8-16-12/h1-2,4,6,8,11H,3,5,7,9-10,15H2.
What are the key properties of 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106933905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).