2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H20N6O — CID 92852384

IUPAC2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C20H20N6O/c1-15(16-6-8-18(9-7-16)26-14-21-13-22-26)24(2)12-17-11-20(27)25-10-4-3-5-19(25)23-17/h3-11,13-15H,12H2,1-2H3/t15-/m0/s1
InChIKeyDSGXUCUPFRYRMJ-HNNXBMFYSA-N
MW360.42 g/mol
LogP2.47
Rot. Bonds5

About 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92852384) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92852384
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C20H20N6O/c1-15(16-6-8-18(9-7-16)26-14-21-13-22-26)24(2)12-17-11-20(27)25-10-4-3-5-19(25)23-17/h3-11,13-15H,12H2,1-2H3/t15-/m0/s1
InChIKeyDSGXUCUPFRYRMJ-HNNXBMFYSA-N
XLogP2.47
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94477565
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 71912735
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-en-1-amine
CID 86907029
2-[2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 51565387
2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42930399
N-methyl-N-[(5-nitrothiophen-3-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 87008647
1-[[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 9285124
1-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-4-phenyltetrazole-5-thione
CID 9284918
2-[4-[[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]phenyl]benzonitrile
CID 42937152
1-(azetidin-1-yl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
CID 56812053
2-[(4-chloro-N-propan-2-ylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166180665

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 92852384) is 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DSGXUCUPFRYRMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-15(16-6-8-18(9-7-16)26-14-21-13-22-26)24(2)12-17-11-20(27)25-10-4-3-5-19(25)23-17/h3-11,13-15H,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 360.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92852384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).