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

C22H21ClN2O5 — CID 42643468

IUPAC(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid
SMILESCC1=CC=CC2=NCC(C(=O)c3ccc(-c4ccccc4)cc3)CN12.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C22H20N2O.ClHO4/c1-16-6-5-9-21-23-14-20(15-24(16)21)22(25)19-12-10-18(11-13-19)17-7-3-2-4-8-17;2-1(3,4)5/h2-13,20H,14-15H2,1H3;(H,2,3,4,5)
InChIKeyIXCPQZSCDNZAEV-UHFFFAOYSA-N
MW428.87 g/mol
LogP0.22
Rot. Bonds3

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

(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid (PubChem CID 42643468) has the molecular formula C22H21ClN2O5 and a molecular weight of 428.87 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid
PubChem CID42643468
Molecular FormulaC22H21ClN2O5
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid
SMILESCC1=CC=CC2=NCC(C(=O)c3ccc(-c4ccccc4)cc3)CN12.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C22H20N2O.ClHO4/c1-16-6-5-9-21-23-14-20(15-24(16)21)22(25)19-12-10-18(11-13-19)17-7-3-2-4-8-17;2-1(3,4)5/h2-13,20H,14-15H2,1H3;(H,2,3,4,5)
InChIKeyIXCPQZSCDNZAEV-UHFFFAOYSA-N
XLogP0.22
TPSA122.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid?
The IUPAC name of (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid (CID 42643468) is (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid is CC1=CC=CC2=NCC(C(=O)c3ccc(-c4ccccc4)cc3)CN12.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid?
The InChIKey is IXCPQZSCDNZAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O.ClHO4/c1-16-6-5-9-21-23-14-20(15-24(16)21)22(25)19-12-10-18(11-13-19)17-7-3-2-4-8-17;2-1(3,4)5/h2-13,20H,14-15H2,1H3;(H,2,3,4,5).
What are the key properties of (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid?
(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid has a molecular weight of 428.87 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(4-phenylphenyl)methanone;perchloric acid is sourced from PubChem (CID 42643468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).