3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine

C17H23N5O — CID 154575296

IUPAC3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine
SMILESCC(C)(C)c1ccc(OCC2CCN(c3ccncn3)C2)nn1
InChIInChI=1S/C17H23N5O/c1-17(2,3)14-4-5-16(21-20-14)23-11-13-7-9-22(10-13)15-6-8-18-12-19-15/h4-6,8,12-13H,7,9-11H2,1-3H3
InChIKeyGIYWQKBFJQQQKP-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.47
Rot. Bonds4

About 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine

3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine (PubChem CID 154575296) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine
PubChem CID154575296
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine
SMILESCC(C)(C)c1ccc(OCC2CCN(c3ccncn3)C2)nn1
InChIInChI=1S/C17H23N5O/c1-17(2,3)14-4-5-16(21-20-14)23-11-13-7-9-22(10-13)15-6-8-18-12-19-15/h4-6,8,12-13H,7,9-11H2,1-3H3
InChIKeyGIYWQKBFJQQQKP-UHFFFAOYSA-N
XLogP2.47
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154575348
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine
CID 139023230
1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 154576070
3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine
CID 126954339
4-[4-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 131015455
[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 154576100
4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286
N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 171705020
3-[2-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 154576053
4-(3-tert-butylpiperidin-1-yl)pyrimidine
CID 58394793
4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
CID 166360323

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine?
The IUPAC name of 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine (CID 154575296) is 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine.
What is the SMILES notation for 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine?
The canonical SMILES for 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine is CC(C)(C)c1ccc(OCC2CCN(c3ccncn3)C2)nn1.
What is the InChIKey of 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine?
The InChIKey is GIYWQKBFJQQQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)14-4-5-16(21-20-14)23-11-13-7-9-22(10-13)15-6-8-18-12-19-15/h4-6,8,12-13H,7,9-11H2,1-3H3.
What are the key properties of 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine?
3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine has a molecular weight of 313.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine is sourced from PubChem (CID 154575296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).