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

C22H23ClN2O5 — CID 42643462

IUPAC(6,8-dimethyl-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(C)=C1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C22H22N2O.ClHO4/c1-14-4-5-18-11-19(7-6-17(18)9-14)22(25)20-12-23-21-10-15(2)8-16(3)24(21)13-20;2-1(3,4)5/h4-11,20H,12-13H2,1-3H3;(H,2,3,4,5)
InChIKeyYVDVBWLBMITMCA-UHFFFAOYSA-N
MW430.89 g/mol
LogP0.40
Rot. Bonds2

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

(6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid (PubChem CID 42643462) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is (6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid.

Molecular Properties

Compound Name(6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid
PubChem CID42643462
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Name(6,8-dimethyl-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(C)=C1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C22H22N2O.ClHO4/c1-14-4-5-18-11-19(7-6-17(18)9-14)22(25)20-12-23-21-10-15(2)8-16(3)24(21)13-20;2-1(3,4)5/h4-11,20H,12-13H2,1-3H3;(H,2,3,4,5)
InChIKeyYVDVBWLBMITMCA-UHFFFAOYSA-N
XLogP0.40
TPSA122.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid?
The IUPAC name of (6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid (CID 42643462) is (6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid.
What is the SMILES notation for (6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid?
The canonical SMILES for (6,8-dimethyl-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(C)=C1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of (6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid?
The InChIKey is YVDVBWLBMITMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O.ClHO4/c1-14-4-5-18-11-19(7-6-17(18)9-14)22(25)20-12-23-21-10-15(2)8-16(3)24(21)13-20;2-1(3,4)5/h4-11,20H,12-13H2,1-3H3;(H,2,3,4,5).
What are the key properties of (6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid?
(6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid has a molecular weight of 430.89 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;perchloric acid is sourced from PubChem (CID 42643462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).