N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C20H28N6 — CID 126918382

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCN(c1ncnc2c1CCCC2)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C20H28N6/c1-20(2,3)17-9-10-18(24-23-17)26-11-14(12-26)25(4)19-15-7-5-6-8-16(15)21-13-22-19/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyCLBPOQYOWFKFNJ-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 126918382) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID126918382
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCN(c1ncnc2c1CCCC2)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C20H28N6/c1-20(2,3)17-9-10-18(24-23-17)26-11-14(12-26)25(4)19-15-7-5-6-8-16(15)21-13-22-19/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyCLBPOQYOWFKFNJ-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126920728
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine
CID 126918139
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126918193
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126918184
6-tert-butyl-N-methyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyridazin-3-amine
CID 126919645
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
CID 126918390
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126918141
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-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
CID 126918220

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 126918382) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CN(c1ncnc2c1CCCC2)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is CLBPOQYOWFKFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-20(2,3)17-9-10-18(24-23-17)26-11-14(12-26)25(4)19-15-7-5-6-8-16(15)21-13-22-19/h9-10,13-14H,5-8,11-12H2,1-4H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 352.49 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 126918382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).