(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid

C21H21ClN2O5 — CID 42643460

IUPAC(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid
SMILESCC1=CC2=NCC(C(=O)c3ccc4cc(C)ccc4c3)CN2C=C1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C21H20N2O.ClHO4/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19;2-1(3,4)5/h3-11,19H,12-13H2,1-2H3;(H,2,3,4,5)
InChIKeyPMCPRFZFDBGJCC-UHFFFAOYSA-N
MW416.86 g/mol
LogP0.01
Rot. Bonds2

About (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid

(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid (PubChem CID 42643460) has the molecular formula C21H21ClN2O5 and a molecular weight of 416.86 g/mol. Its IUPAC name is (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid.

Molecular Properties

Compound Name(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid
PubChem CID42643460
Molecular FormulaC21H21ClN2O5
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid
SMILESCC1=CC2=NCC(C(=O)c3ccc4cc(C)ccc4c3)CN2C=C1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C21H20N2O.ClHO4/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19;2-1(3,4)5/h3-11,19H,12-13H2,1-2H3;(H,2,3,4,5)
InChIKeyPMCPRFZFDBGJCC-UHFFFAOYSA-N
XLogP0.01
TPSA122.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid?
The IUPAC name of (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid (CID 42643460) is (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid.
What is the SMILES notation for (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid?
The canonical SMILES for (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid is CC1=CC2=NCC(C(=O)c3ccc4cc(C)ccc4c3)CN2C=C1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid?
The InChIKey is PMCPRFZFDBGJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O.ClHO4/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19;2-1(3,4)5/h3-11,19H,12-13H2,1-2H3;(H,2,3,4,5).
What are the key properties of (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid?
(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid has a molecular weight of 416.86 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid is sourced from PubChem (CID 42643460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).