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

C17H19N3O2 — CID 9101903

IUPAC7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)Cc3ccc(C)o3)cc(=O)n2c1
InChIInChI=1S/C17H19N3O2/c1-12-4-7-16-18-14(8-17(21)20(16)9-12)10-19(3)11-15-6-5-13(2)22-15/h4-9H,10-11H2,1-3H3
InChIKeyYCHSUHFQQJINIL-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds4

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

7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9101903) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID9101903
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)Cc3ccc(C)o3)cc(=O)n2c1
InChIInChI=1S/C17H19N3O2/c1-12-4-7-16-18-14(8-17(21)20(16)9-12)10-19(3)11-15-6-5-13(2)22-15/h4-9H,10-11H2,1-3H3
InChIKeyYCHSUHFQQJINIL-UHFFFAOYSA-N
XLogP2.54
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 9101903) is 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(C)Cc3ccc(C)o3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YCHSUHFQQJINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-4-7-16-18-14(8-17(21)20(16)9-12)10-19(3)11-15-6-5-13(2)22-15/h4-9H,10-11H2,1-3H3.
What are the key properties of 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9101903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).