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

C14H15ClN4O2 — CID 147256977

IUPAC5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CC(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2Cl)C1
InChIInChI=1S/C14H15ClN4O2/c1-14(2)4-7(5-14)8-3-10(18-19-11(8)15)9-6-16-13(21)17-12(9)20/h3,6-7H,4-5H2,1-2H3,(H2,16,17,20,21)
InChIKeyCNUUNMWDKZAFRY-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.08
Rot. Bonds2

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

5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 147256977) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID147256977
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CC(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2Cl)C1
InChIInChI=1S/C14H15ClN4O2/c1-14(2)4-7(5-14)8-3-10(18-19-11(8)15)9-6-16-13(21)17-12(9)20/h3,6-7H,4-5H2,1-2H3,(H2,16,17,20,21)
InChIKeyCNUUNMWDKZAFRY-UHFFFAOYSA-N
XLogP2.08
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 147256977) is 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione is CC1(C)CC(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2Cl)C1.
What is the InChIKey of 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is CNUUNMWDKZAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-14(2)4-7(5-14)8-3-10(18-19-11(8)15)9-6-16-13(21)17-12(9)20/h3,6-7H,4-5H2,1-2H3,(H2,16,17,20,21).
What are the key properties of 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 306.75 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-(3,3-dimethylcyclobutyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 147256977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).