6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C18H25N5O3 — CID 126923988

IUPAC6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC2Cn2nc(C(C)(C)C)ccc2=O)[nH]c1=O
InChIInChI=1S/C18H25N5O3/c1-18(2,3)13-7-8-15(24)23(20-13)11-12-6-5-9-22(12)14-10-16(25)21(4)17(26)19-14/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,19,26)
InChIKeyXQPDDLLXDOIETJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.60
Rot. Bonds3

About 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126923988) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID126923988
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC2Cn2nc(C(C)(C)C)ccc2=O)[nH]c1=O
InChIInChI=1S/C18H25N5O3/c1-18(2,3)13-7-8-15(24)23(20-13)11-12-6-5-9-22(12)14-10-16(25)21(4)17(26)19-14/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,19,26)
InChIKeyXQPDDLLXDOIETJ-UHFFFAOYSA-N
XLogP0.60
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862381
6-tert-butyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924150
6-tert-butyl-2-[[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924003
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923941
6-tert-butyl-2-[[1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924066
6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924136
6-tert-butyl-2-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923928
6-tert-butyl-2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924053
6-tert-butyl-2-[[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923885
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923819
6-tert-butyl-2-[[1-(1,3,4-oxadiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924065
6-tert-butyl-2-[[1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924010

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126923988) is 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCCC2Cn2nc(C(C)(C)C)ccc2=O)[nH]c1=O.
What is the InChIKey of 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XQPDDLLXDOIETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-18(2,3)13-7-8-15(24)23(20-13)11-12-6-5-9-22(12)14-10-16(25)21(4)17(26)19-14/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,19,26).
What are the key properties of 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126923988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).