5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione

C14H18N4O2 — CID 63799243

IUPAC5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCc2ccncc2)c1=O
InChIInChI=1S/C14H18N4O2/c1-2-8-17-10-12(15)13(19)18(14(17)20)9-5-11-3-6-16-7-4-11/h3-4,6-7,10H,2,5,8-9,15H2,1H3
InChIKeyBUOXPCXHJZKMHG-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.64
Rot. Bonds5

About 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione

5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione (PubChem CID 63799243) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
PubChem CID63799243
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCc2ccncc2)c1=O
InChIInChI=1S/C14H18N4O2/c1-2-8-17-10-12(15)13(19)18(14(17)20)9-5-11-3-6-16-7-4-11/h3-4,6-7,10H,2,5,8-9,15H2,1H3
InChIKeyBUOXPCXHJZKMHG-UHFFFAOYSA-N
XLogP0.64
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione (CID 63799243) is 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione is CCCn1cc(N)c(=O)n(CCc2ccncc2)c1=O.
What is the InChIKey of 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The InChIKey is BUOXPCXHJZKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-8-17-10-12(15)13(19)18(14(17)20)9-5-11-3-6-16-7-4-11/h3-4,6-7,10H,2,5,8-9,15H2,1H3.
What are the key properties of 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63799243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).