9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H21N3O — CID 92804654

IUPAC9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)[C@@H](C)c3ccccc3)nc12
InChIInChI=1S/C19H21N3O/c1-14-8-7-11-22-18(23)12-17(20-19(14)22)13-21(3)15(2)16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1
InChIKeyWFCXWSLILGBDCQ-HNNXBMFYSA-N
MW307.40 g/mol
LogP3.20
Rot. Bonds4

About 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92804654) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92804654
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)[C@@H](C)c3ccccc3)nc12
InChIInChI=1S/C19H21N3O/c1-14-8-7-11-22-18(23)12-17(20-19(14)22)13-21(3)15(2)16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1
InChIKeyWFCXWSLILGBDCQ-HNNXBMFYSA-N
XLogP3.20
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 92804654) is 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN(C)[C@@H](C)c3ccccc3)nc12.
What is the InChIKey of 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WFCXWSLILGBDCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-8-7-11-22-18(23)12-17(20-19(14)22)13-21(3)15(2)16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92804654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).