5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione

C12H12N4O3 — CID 147349044

IUPAC5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1
InChIInChI=1S/C12H12N4O3/c1-19-11-7(6-2-3-6)4-9(15-16-11)8-5-13-12(18)14-10(8)17/h4-6H,2-3H2,1H3,(H2,13,14,17,18)
InChIKeyDEZYSSKSTZDJOX-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.41
Rot. Bonds3

About 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione

5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 147349044) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID147349044
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1
InChIInChI=1S/C12H12N4O3/c1-19-11-7(6-2-3-6)4-9(15-16-11)8-5-13-12(18)14-10(8)17/h4-6H,2-3H2,1H3,(H2,13,14,17,18)
InChIKeyDEZYSSKSTZDJOX-UHFFFAOYSA-N
XLogP0.41
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione (CID 147349044) is 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione is COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1.
What is the InChIKey of 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is DEZYSSKSTZDJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-11-7(6-2-3-6)4-9(15-16-11)8-5-13-12(18)14-10(8)17/h4-6H,2-3H2,1H3,(H2,13,14,17,18).
What are the key properties of 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione?
5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 260.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 147349044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).