9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H23N3O2 — CID 47059954

IUPAC9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(CN(Cc2cc(=O)n3cccc(C)c3n2)C(C)C)o1
InChIInChI=1S/C19H23N3O2/c1-13(2)21(12-17-8-7-15(4)24-17)11-16-10-18(23)22-9-5-6-14(3)19(22)20-16/h5-10,13H,11-12H2,1-4H3
InChIKeyWKXPFQDHPDUMRY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.31
Rot. Bonds5

About 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47059954) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47059954
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(CN(Cc2cc(=O)n3cccc(C)c3n2)C(C)C)o1
InChIInChI=1S/C19H23N3O2/c1-13(2)21(12-17-8-7-15(4)24-17)11-16-10-18(23)22-9-5-6-14(3)19(22)20-16/h5-10,13H,11-12H2,1-4H3
InChIKeyWKXPFQDHPDUMRY-UHFFFAOYSA-N
XLogP3.31
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47059954) is 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(CN(Cc2cc(=O)n3cccc(C)c3n2)C(C)C)o1.
What is the InChIKey of 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WKXPFQDHPDUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)21(12-17-8-7-15(4)24-17)11-16-10-18(23)22-9-5-6-14(3)19(22)20-16/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47059954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).