[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

C25H28N3OS+ — CID 8993460

IUPAC[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCCCCc1ccc([C@@H]([NH2+]Cc2cc(=O)n3c(C)cccc3n2)c2cccs2)cc1
InChIInChI=1S/C25H27N3OS/c1-3-4-8-19-11-13-20(14-12-19)25(22-9-6-15-30-22)26-17-21-16-24(29)28-18(2)7-5-10-23(28)27-21/h5-7,9-16,25-26H,3-4,8,17H2,1-2H3/p+1/t25-/m1/s1
InChIKeyFOCKUNLQYMWBKK-RUZDIDTESA-O
MW418.59 g/mol
LogP4.26
Rot. Bonds8

About [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 8993460) has the molecular formula C25H28N3OS+ and a molecular weight of 418.59 g/mol. Its IUPAC name is [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID8993460
Molecular FormulaC25H28N3OS+
Molecular Weight418.59 g/mol
Exact Mass418.19
IUPAC Name[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCCCCc1ccc([C@@H]([NH2+]Cc2cc(=O)n3c(C)cccc3n2)c2cccs2)cc1
InChIInChI=1S/C25H27N3OS/c1-3-4-8-19-11-13-20(14-12-19)25(22-9-6-15-30-22)26-17-21-16-24(29)28-18(2)7-5-10-23(28)27-21/h5-7,9-16,25-26H,3-4,8,17H2,1-2H3/p+1/t25-/m1/s1
InChIKeyFOCKUNLQYMWBKK-RUZDIDTESA-O
XLogP4.26
TPSA50.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium with MolForge

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050893
[(1S)-1-(4-chlorophenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710605
[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8996641
[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8774843
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
CID 8800677
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8993631
1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9032147
6-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51289433
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8915437
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 8867233

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 8993460) is [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is CCCCc1ccc([C@@H]([NH2+]Cc2cc(=O)n3c(C)cccc3n2)c2cccs2)cc1.
What is the InChIKey of [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is FOCKUNLQYMWBKK-RUZDIDTESA-O. The full InChI is InChI=1S/C25H27N3OS/c1-3-4-8-19-11-13-20(14-12-19)25(22-9-6-15-30-22)26-17-21-16-24(29)28-18(2)7-5-10-23(28)27-21/h5-7,9-16,25-26H,3-4,8,17H2,1-2H3/p+1/t25-/m1/s1.
What are the key properties of [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 418.59 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 8993460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).