6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one

C19H26N6O — CID 126919705

IUPAC6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCN(C)C2CN(c3cc4c(nn3)CCCC4)C2)cn1
InChIInChI=1S/C19H26N6O/c1-14-9-19(26)24(13-20-14)8-7-23(2)16-11-25(12-16)18-10-15-5-3-4-6-17(15)21-22-18/h9-10,13,16H,3-8,11-12H2,1-2H3
InChIKeyPEZNFDXXULLVKW-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.04
Rot. Bonds5

About 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one

6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one (PubChem CID 126919705) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one
PubChem CID126919705
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCN(C)C2CN(c3cc4c(nn3)CCCC4)C2)cn1
InChIInChI=1S/C19H26N6O/c1-14-9-19(26)24(13-20-14)8-7-23(2)16-11-25(12-16)18-10-15-5-3-4-6-17(15)21-22-18/h9-10,13,16H,3-8,11-12H2,1-2H3
InChIKeyPEZNFDXXULLVKW-UHFFFAOYSA-N
XLogP1.04
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one with MolForge

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Related Compounds

N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919761
N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919770
3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one
CID 126922244
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine
CID 126919032
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
CID 126918988
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 126918828
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919626
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919668

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one (CID 126919705) is 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCN(C)C2CN(c3cc4c(nn3)CCCC4)C2)cn1.
What is the InChIKey of 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one?
The InChIKey is PEZNFDXXULLVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-9-19(26)24(13-20-14)8-7-23(2)16-11-25(12-16)18-10-15-5-3-4-6-17(15)21-22-18/h9-10,13,16H,3-8,11-12H2,1-2H3.
What are the key properties of 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one?
6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one has a molecular weight of 354.46 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 126919705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).