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

C19H27N5O3 — CID 126862381

IUPAC6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)[nH]c1=O
InChIInChI=1S/C19H27N5O3/c1-19(2,3)14-5-6-16(25)24(21-14)12-13-7-9-23(10-8-13)15-11-17(26)22(4)18(27)20-15/h5-6,11,13H,7-10,12H2,1-4H3,(H,20,27)
InChIKeyGGTGOFOQSQTVLR-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.84
Rot. Bonds3

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

6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126862381) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID126862381
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)[nH]c1=O
InChIInChI=1S/C19H27N5O3/c1-19(2,3)14-5-6-16(25)24(21-14)12-13-7-9-23(10-8-13)15-11-17(26)22(4)18(27)20-15/h5-6,11,13H,7-10,12H2,1-4H3,(H,20,27)
InChIKeyGGTGOFOQSQTVLR-UHFFFAOYSA-N
XLogP0.84
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-methyl-6-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126863992
6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126923988
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862268
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862625
6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126862544
6-tert-butyl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862576
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256
3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126862595
6-tert-butyl-2-[[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862257
6-tert-butyl-2-[[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862227
6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862656

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126862381) is 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)[nH]c1=O.
What is the InChIKey of 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is GGTGOFOQSQTVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-19(2,3)14-5-6-16(25)24(21-14)12-13-7-9-23(10-8-13)15-11-17(26)22(4)18(27)20-15/h5-6,11,13H,7-10,12H2,1-4H3,(H,20,27).
What are the key properties of 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 373.46 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126862381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).