5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione

C15H18N4O3 — CID 147298762

IUPAC5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC(C)(C)C1
InChIInChI=1S/C15H18N4O3/c1-15(2)5-8(6-15)9-4-11(18-19-13(9)22-3)10-7-16-14(21)17-12(10)20/h4,7-8H,5-6H2,1-3H3,(H2,16,17,20,21)
InChIKeyCVQIDGUTJWLBBE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.43
Rot. Bonds3

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

5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 147298762) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID147298762
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC(C)(C)C1
InChIInChI=1S/C15H18N4O3/c1-15(2)5-8(6-15)9-4-11(18-19-13(9)22-3)10-7-16-14(21)17-12(10)20/h4,7-8H,5-6H2,1-3H3,(H2,16,17,20,21)
InChIKeyCVQIDGUTJWLBBE-UHFFFAOYSA-N
XLogP1.43
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 147298762) is 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione is COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC(C)(C)C1.
What is the InChIKey of 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is CVQIDGUTJWLBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-15(2)5-8(6-15)9-4-11(18-19-13(9)22-3)10-7-16-14(21)17-12(10)20/h4,7-8H,5-6H2,1-3H3,(H2,16,17,20,21).
What are the key properties of 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 147298762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).