6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione

C18H20N4O3 — CID 166240833

IUPAC6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC=C(c2ccccn2)C1
InChIInChI=1S/C18H20N4O3/c1-12-14(17(24)21-18(25)20-12)7-8-16(23)22-10-4-5-13(11-22)15-6-2-3-9-19-15/h2-3,5-6,9H,4,7-8,10-11H2,1H3,(H2,20,21,24,25)
InChIKeyQRZLBHNXHFWLHX-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.02
Rot. Bonds4

About 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 166240833) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione
PubChem CID166240833
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC=C(c2ccccn2)C1
InChIInChI=1S/C18H20N4O3/c1-12-14(17(24)21-18(25)20-12)7-8-16(23)22-10-4-5-13(11-22)15-6-2-3-9-19-15/h2-3,5-6,9H,4,7-8,10-11H2,1H3,(H2,20,21,24,25)
InChIKeyQRZLBHNXHFWLHX-UHFFFAOYSA-N
XLogP1.02
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione (CID 166240833) is 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC=C(c2ccccn2)C1.
What is the InChIKey of 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QRZLBHNXHFWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-14(17(24)21-18(25)20-12)7-8-16(23)22-10-4-5-13(11-22)15-6-2-3-9-19-15/h2-3,5-6,9H,4,7-8,10-11H2,1H3,(H2,20,21,24,25).
What are the key properties of 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166240833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).