7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C21H25N3O4 — CID 50787830

IUPAC7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(CN(C)Cc2cc(=O)n3cc(C)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C21H25N3O4/c1-14-6-7-19-22-16(10-20(25)24(19)11-14)13-23(2)12-15-8-17(26-3)21(28-5)18(9-15)27-4/h6-11H,12-13H2,1-5H3
InChIKeyGTPOJYVXCQXNKO-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.66
Rot. Bonds7

About 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 50787830) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID50787830
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(CN(C)Cc2cc(=O)n3cc(C)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C21H25N3O4/c1-14-6-7-19-22-16(10-20(25)24(19)11-14)13-23(2)12-15-8-17(26-3)21(28-5)18(9-15)27-4/h6-11H,12-13H2,1-5H3
InChIKeyGTPOJYVXCQXNKO-UHFFFAOYSA-N
XLogP2.66
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 50787830) is 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is COc1cc(CN(C)Cc2cc(=O)n3cc(C)ccc3n2)cc(OC)c1OC.
What is the InChIKey of 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GTPOJYVXCQXNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-6-7-19-22-16(10-20(25)24(19)11-14)13-23(2)12-15-8-17(26-3)21(28-5)18(9-15)27-4/h6-11H,12-13H2,1-5H3.
What are the key properties of 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50787830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).