1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine

C20H28N6 — CID 126918251

IUPAC1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1cnc(C2CC2)nc1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C20H28N6/c1-20(2,3)17-7-8-18(24-23-17)26-12-16(13-26)25(4)11-14-9-21-19(22-10-14)15-5-6-15/h7-10,15-16H,5-6,11-13H2,1-4H3
InChIKeyPEIZEFOFPWREGM-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.76
Rot. Bonds5

About 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine

1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine (PubChem CID 126918251) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
PubChem CID126918251
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1cnc(C2CC2)nc1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C20H28N6/c1-20(2,3)17-7-8-18(24-23-17)26-12-16(13-26)25(4)11-14-9-21-19(22-10-14)15-5-6-15/h7-10,15-16H,5-6,11-13H2,1-4H3
InChIKeyPEIZEFOFPWREGM-UHFFFAOYSA-N
XLogP2.76
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine with MolForge

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Related Compounds

1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
CID 126918220
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
CID 126922870
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126918267
6-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126918236
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine
CID 126918445
1-(6-tert-butylpyridazin-3-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylazetidin-3-amine
CID 126918170
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
CID 126918275
1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126918355
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine (CID 126918251) is 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine is CN(Cc1cnc(C2CC2)nc1)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine?
The InChIKey is PEIZEFOFPWREGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-20(2,3)17-7-8-18(24-23-17)26-12-16(13-26)25(4)11-14-9-21-19(22-10-14)15-5-6-15/h7-10,15-16H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine?
1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine has a molecular weight of 352.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 126918251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).